SCHEMBL4587807

SCHEMBL4587807

NCc1[c]cc(CN)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
LOXL2 Q9Y4K0 7/20 0.40
ABAT P80404 1/20 0.39
TAAR1 Q96RJ0 1/20 0.36
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
F10 P00742 1/20 0.33
F11 P03951 1/20 0.33
CA12 O43570 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
MAPT P10636 1/20 0.32
PSIP1 O75475 1/20 0.31
ADRB2 P07550 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
SCHEMBL7431850 0.75
SCHEMBL1197678 0.73
SCHEMBL61322 0.73
SCHEMBL1304221 0.73
SCHEMBL2170353 0.73
SCHEMBL3924093 0.69 TAAR1 (0.41) LOXL2TAAR1CA1CA2CA12
SCHEMBL15828 0.67 HRH3 (0.79) HRH3LOXL2ABATTAAR1CA1
SCHEMBL28838458 0.67 TPSAB1 (0.37) HRH3LOXL2ABATCA1CA2
SCHEMBL1404345 0.67 LPL (0.39) CA2
SCHEMBL21373792 0.65 TAAR1 (0.37) TAAR1CA2

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
CN-104744434-A ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CELGENE CORP 2015-07-01 CN claimed
CN-102264720-A Isoindoline compounds for the treatment of cancer 2011-11-30 CN claimed
EP-1603562-A4 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 EP claimed
EP-1603909-A4 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-09-03 EP claimed
US-7312214-B2 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US claimed
US-7135469-B2 Linear chain substituted monocyclic and bicyclic derivatives as factor Xa inhibitors BRISTOL MYERS SQUIBB, CO. (US) 2006-11-14 US claimed
EP-1505966-A4 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-08-30 EP claimed
EP-1603909-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS Brystol-Myers Squibb Company (US) 2005-12-14 EP claimed
EP-1603562-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP claimed
EP-1505966-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP claimed
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 US claimed
US-20040214808-A1 Linear chain substituted monocyclic and bicyclic derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-28 US claimed
US-20040209863-A1 Sulfonyl-amidino-containing and tetrahydropyrimidino-containing compounds as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-21 US claimed
WO-2004083177-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRYSTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO claimed
WO-2004083174-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO claimed
WO-2003099276-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO claimed
CN-110352213-A Film 住友化学株式会社 2019-10-18 CN disclosed
CN-105358177-B Combination therapy comprising TOR kinase inhibitor and IMID compound for treating cancer 西格诺药品有限公司 2018-11-23 CN disclosed
US-6602871-B2 Anticoagulants; compounds of given formula: several types of nitrogen containing heterocycles such as perhydroindolizine, piperazine, pyrimidine BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-08-05 US disclosed
US-20020115854-A1 Thrombin or factor Xa inhibitors LAM PATRICK Y S (US) 2002-08-22 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-20040214808-A1 Linear chain substituted monocyclic and bicyclic derivatives as factor Xa inhibitors TFPI, F12, F2 HRH3 2494/4885LOXL2 1523/4885ABAT 2767/4885
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders SERPINC1, PCSK9, PLAT HRH3 3654/4885LOXL2 320/4885ABAT 559/4885
US-20040209863-A1 Sulfonyl-amidino-containing and tetrahydropyrimidino-containing compounds as factor Xa inhibitors TFPI, SPINT2, TMPRSS4 HRH3 2019/4885LOXL2 3639/4885ABAT 3020/4885
US-20020115854-A1 Thrombin or factor Xa inhibitors SERPINC1, TFPI, SPINT2 HRH3 2094/4885LOXL2 1231/4885ABAT 2753/4885

“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.