SCHEMBL738149

SCHEMBL738149

CC(C)OCC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
SLC6A2 P23975 9/20 0.36
SLC6A4 P31645 9/20 0.36
HTR3A P46098 2/20 0.36
KCNH2 Q12809 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
SLC6A3 Q01959 8/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
KDM1A O60341 1/20 0.33
CPN1 P15169 1/20 0.32
CPB2 Q96IY4 1/20 0.32
GBA1 P04062 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
EP300 Q09472 1/20 0.31

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
SCHEMBL10100356 0.87 SLC6A1 (0.39) TDP1SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL10100359 0.87 SLC6A1 (0.39) TDP1SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL739410 0.87 SLC6A1 (0.39) TDP1SLC6A2SLC6A4KCNH2SLC6A3
Hydrochloric Acid SCHEMBL3719975 0.85 SLC6A1 (0.38) TDP1SLC6A2SLC6A4KCNH2SMN1; SMN2
SCHEMBL18883524 0.83 SLC1A3 (0.39)
SCHEMBL13452 0.83
SCHEMBL12541302 0.83 SLC1A3 (0.39)
SCHEMBL18883522 0.83 SLC1A3 (0.39)
SCHEMBL24087971 0.83 TDP1 (0.40) TDP1SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL18842918 0.81 TDP1 (0.39) TDP1SLC6A2SLC6A4HTR3AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023083269-A1 AROMATIC HETEROCYCLIC COMPOUND AND APPLICATION THEREOF 中国科学院上海药物研究所 2023-05-19 WO disclosed
US-20230019236-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2023-01-19 US disclosed
US-11352343-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2022-06-07 US disclosed
US-20210380588-A1 Novel Compounds and Uses Thereof OXFORD FINANCE LLC 2021-12-09 US disclosed
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 US disclosed
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 US disclosed
US-20210087184-A1 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS ALCON INC. (CH) 2021-03-25 US disclosed
US-10954244-B2 Compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2021-03-23 US disclosed
US-20210009542-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF ABBVIE INC. 2021-01-14 US disclosed
US-20200299272-A1 Urea Derivatives and Uses Thereof KALA BIO, Inc. 2020-09-24 US disclosed
US-8669361-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-03-11 US disclosed
US-20140045817-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-02-13 US disclosed
US-20130203732-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-08-08 US disclosed
US-8436001-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2013-05-07 US disclosed
US-8138181-B2 Imidazo[1,2-a]pyridine compounds as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-03-20 US disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-10-13 US disclosed
US-20110144085-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 US disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US disclosed
US-20100029633-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-02-04 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 (15 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-20100029633-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS PIM1, PIM3, PIM2 TDP1 675/4885SLC6A2 4280/4885SLC6A4 4294/4885
US-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 TDP1 630/4885SLC6A2 4249/4885SLC6A4 2918/4885
US-20230019236-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN1, PTPN2, PTPN18 TDP1 673/4885SLC6A2 3827/4885SLC6A4 3966/4885
US-11352343-B2 Urea derivatives and uses thereof UACA, RB1, FLT1 TDP1 3546/4885SLC6A2 4308/4885SLC6A4 4289/4885
US-20210009542-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN1, PTPN2, PTPN18 TDP1 673/4885SLC6A2 3827/4885SLC6A4 3966/4885
US-20210380588-A1 Novel Compounds and Uses Thereof RB1, VEGFA, UACA TDP1 3749/4885SLC6A2 4335/4885SLC6A4 3552/4885
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 TDP1 2555/4885SLC6A2 1283/4885SLC6A4 1222/4885
US-20110144085-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 TDP1 466/4885SLC6A2 4568/4885SLC6A4 4498/4885
US-10954244-B2 Compounds and uses thereof RB1, VEGFA, FLT4 TDP1 3830/4885SLC6A2 4096/4885SLC6A4 3050/4885
US-20200299272-A1 Urea Derivatives and Uses Thereof UACA, RB1, FLT1 TDP1 3546/4885SLC6A2 4308/4885SLC6A4 4289/4885
US-20130203732-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 TDP1 630/4885SLC6A2 4249/4885SLC6A4 2918/4885
US-20210087184-A1 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS ATM, MAP3K15, MAP3K3 TDP1 808/4885SLC6A2 4727/4885SLC6A4 4493/4885
US-20140045817-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM2, PIM1, PIM3 TDP1 510/4885SLC6A2 3808/4885SLC6A4 4270/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 TDP1 120/4885SLC6A2 4852/4885SLC6A4 4339/4885
US-20100160308-A1 Thiazolyl-Benzimidazoles CYP3A7, CYP2C19, CYP3A5 TDP1 2967/4885SLC6A2 1505/4885SLC6A4 489/4885

“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.