SCHEMBL57180

SCHEMBL57180

CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
EPHX2 P34913 1/20 0.50
MMP9 P14780 5/20 0.48
MMP1 P03956 4/20 0.48
MMP2 P08253 4/20 0.48
MMP8 P22894 4/20 0.48
NAMPT P43490 1/20 0.46
P2RX7 Q99572 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
MAPK1 P28482 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL55573 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL25730272 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL29922190 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL29502115 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL5432481 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL56008 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL29381250 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL57241 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL22787577 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL9680488 0.88 EPHX2 (0.47) MEN1ALDH1A1KMT2AEPHX2NAMPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780834-B2 Solid forms of 3-((1R,3R)-1-(2,6-difluoro-4-((1-(3-fluoropropyl)azetidin-3- yl)amino)phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)-2,2-difluoropropan-1-ol and processes for preparing fused tricyclic compounds comprising a substituted phenyl or pyridinyl moiety, including methods of their use GENENTECH, INC. (US) 2023-10-10 US disclosed
US-11780834-B2 Solid forms of 3-((1R,3R)-1-(2,6-difluoro-4-((1-(3-fluoropropyl)azetidin-3- yl)amino)phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)-2,2-difluoropropan-1-ol and processes for preparing fused tricyclic compounds comprising a substituted phenyl or pyridinyl moiety, including methods of their use GENENTECH, INC. (US) 2023-10-10 US disclosed
EP-3810283-B1 SOLID FORMS OF THE TARTRATE SALT OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL, PROCESS FOR THEIR PREPARATION AND METHODS OF THEIR USE IN TREATING CANCERS HOFFMANN LA ROCHE (CH) 2023-06-14 EP disclosed
EP-3985007-A1 TRIAZOLOPYRIMIDINE COMPOUND AND SALT, COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-04-20 EP disclosed
US-10954234-B2 Solid forms of 3-((1R,3R)-1-(2,6-difluoro-4-((1-(3- fluoropropyl)azetidin-3-yl)amino)phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)-2,2-difluoropropan-1-ol and processes for preparing fused tricyclic compounds comprising a substituted phenyl or pyridinyl moiety, including methods of their use GENENTECH, INC. (US) 2021-03-23 US disclosed
WO-2020249109-A1 TRIAZOLOPYRIMIDINE COMPOUND AND SALT, COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2020-12-17 WO disclosed
US-10640494-B2 N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and their use thereof NORTHEASTERN UNIVERSITY (US) 2020-05-05 US disclosed
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2019-01-31 US disclosed
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2019-01-31 US disclosed
US-20180222894-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NORTHEASTERN UNIVERSITY 2018-08-09 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-20060264494-A1 Heterocyclic amide derivatives which process glycogen phorylase inhibitory activity ASTRAZENECA AB (SE) 2006-11-23 US disclosed
EP-1483271-B1 HETEROCYCLIC AMIDE DERIVATIVES HAVING GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-11-22 EP disclosed
US-7122567-B2 Heterocyclic amide derivatives having glycogen phosphorylase inhibitory activity ASTRAZENECA AB (SE) 2006-10-17 US disclosed
US-20050131052-A1 Heterocyclic amide derivatives having glycogen phosphorylase inhibitory activity ASTRAZENECA AB (SE) 2005-06-16 US disclosed
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
EP-1317459-B1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2004-04-07 EP disclosed
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2003-12-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060264494-A1 Heterocyclic amide derivatives which process glycogen phorylase inhibitory activity PYGL, PYGM, G6PC1 MEN1 2960/4885ALDH1A1 2365/4885KMT2A 2884/4885
US-20180222894-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NAAA, NAT1, NAALAD2 MEN1 357/4885ALDH1A1 1722/4885KMT2A 938/4885
US-10640494-B2 N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and their use thereof NAAA, NAT1, NAALAD2 MEN1 357/4885ALDH1A1 1722/4885KMT2A 938/4885
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors GYS1, GYS2, PYGL MEN1 4601/4885ALDH1A1 3884/4885KMT2A 2910/4885
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD MEN1 228/4885ALDH1A1 3204/4885KMT2A 1997/4885
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors PEPD, TFPI, F2 MEN1 505/4885ALDH1A1 3153/4885KMT2A 1633/4885
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS GRM7, GRIN2B, GRM1 MEN1 3257/4885ALDH1A1 2821/4885KMT2A 1524/4885
US-11780834-B2 Solid forms of 3-((1R,3R)-1-(2,6-difluoro-4-((1-(3-fluoropropyl)azetidin-3- yl)amino)phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)-2,2-difluoropropan-1-ol and processes for preparing fused tricyclic compounds comprising a substituted phenyl or pyridinyl moiety, including methods of their use TP53, DPYD, FLI1 MEN1 1111/4885ALDH1A1 399/4885KMT2A 184/4885
US-20050131052-A1 Heterocyclic amide derivatives having glycogen phosphorylase inhibitory activity PYGL, GYS1, CBR3 MEN1 4039/4885ALDH1A1 3143/4885KMT2A 4046/4885
US-10954234-B2 Solid forms of 3-((1R,3R)-1-(2,6-difluoro-4-((1-(3- fluoropropyl)azetidin-3-yl)amino)phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)-2,2-difluoropropan-1-ol and processes for preparing fused tricyclic compounds comprising a substituted phenyl or pyridinyl moiety, including methods of their use TP53, DPYD, FLI1 MEN1 1111/4885ALDH1A1 399/4885KMT2A 184/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.