SCHEMBL56008

SCHEMBL56008

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
SCHEMBL57180 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL5432481 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10442793-B2 Oxa spiro derivative, preparation method therefor, and applications thereof in medicines JIANGSU HENGRUI MEDICINE CO., LTD (CN) 2019-10-15 US disclosed
WO-2017063509-A1 OXA SPIRO DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF IN MEDICINES 江苏恒瑞医药股份有限公司 2017-04-20 WO disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
EP-1968940-A1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2008-09-17 EP 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-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 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 (4 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-10442793-B2 Oxa spiro derivative, preparation method therefor, and applications thereof in medicines OPRL1, OPRD1, OPRK1 MEN1 2983/4885ALDH1A1 174/4885KMT2A 4345/4885
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD MEN1 228/4885ALDH1A1 3204/4885KMT2A 1997/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 MEN1 2336/4885ALDH1A1 38/4885KMT2A 3129/4885
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors PEPD, TFPI, F2 MEN1 505/4885ALDH1A1 3153/4885KMT2A 1633/4885

“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.