SCHEMBL630847

SCHEMBL630847

COc1ccc2c(c1)SC(C)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
ALDH1A1 P00352 2/20 0.62
ACHE P22303 1/20 0.46
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
HPGD P15428 1/20 0.41
KLK7 P49862 1/20 0.41
SNCA P37840 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
OPRM1 P35372 1/20 0.39
HTT P42858 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CYP19A1 P11511 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
KCNH2 Q12809 1/20 0.37
RYR2 Q92736 1/20 0.37

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
SCHEMBL13847659 0.86 KDM4E (0.58) KDM4EALDH1A1ACHEDRD2DRD3
SCHEMBL13638175 0.81 KDM4E (0.45) KDM4EALDH1A1ACHEDRD2DRD3
SCHEMBL29698855 0.78 KDM4E (0.43) KDM4EALDH1A1ACHEDRD2DRD3
SCHEMBL7914318 0.76 ACHE (0.42) KDM4EALDH1A1ACHEHPGDKLK7
SCHEMBL13799423 0.74 PNMT (0.43) KDM4EALDH1A1HPGDKLK7HTR2A
SCHEMBL14501950 0.74 ACHE (0.43) KDM4EALDH1A1ACHEHPGDKLK7
SCHEMBL12621066 0.74 KDM4E (0.43) KDM4EALDH1A1DRD2HPGDKLK7
SCHEMBL11024058 0.73 KDM4E (0.78) KDM4EALDH1A1ACHEHPGDKLK7
SCHEMBL12264118 0.73 KDM4E (0.78) KDM4EALDH1A1ACHEHPGDKLK7
SCHEMBL13638177 0.72 KDM4E (0.39) KDM4EALDH1A1ACHEDRD2DRD3

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188120-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-29 US disclosed
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-20110212930-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-01 US disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-7691846-B2 blood coagulation factor (trypsin-like serine protease enzymes) inhibitor; 1-(3-amino-1,2-benzisoxazol-5-yl)-5-{[5-(2-oxo-1-piperidinyl)-2,3-dihydro-1H-indol-1-yl]carbonyl}-1H-pyrazole-3-carboxamide; anticoagulant; cardiovascular thromboembolic disorder transient ischemic attack, stroke, atherosclerosis BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-06 US disclosed
US-20090176758-A1 blood coagulation factor (trypsin-like serine protease enzymes) inhibitor; 1-(3-amino-1,2-benzisoxazol-5-yl)-5-{[5-(2-oxo-1-piperidinyl)-2,3-dihydro-1H-indol-1-yl]carbonyl}-1H-pyrazole-3-carboxamide; anticoagulant; cardiovascular thromboembolic disorder transient ischemic attack, stroke, atherosclerosis BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-09 US disclosed
US-7531535-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2009-05-12 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
US-20080090807-A1 blood coagulation factor (trypsin-like serine protease enzymes) inhibitor; 3-(4-methoxy-phenyl)-5-[4-(2-oxo-2H-pyridin-1-yl)-phenyl]-3,5,6,7-tetrahydro-[1,2,3]triazolo4,5-c]pyridin-4-one; anticoagulant; cardiovascular thromboembolic disorder transient ischemic attack, stroke, atherosclerosis BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-17 US disclosed
US-7338963-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-04 US disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 WO disclosed
US-7169795-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-01-30 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-20110212930-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 KDM4E 3113/4885ALDH1A1 3371/4885ACHE 492/4885
US-20090176758-A1 blood coagulation factor (trypsin-like serine protease enzymes) inhibitor; 1-(3-amino-1,2-benzisoxazol-5-yl)-5-{[5-(2-oxo-1-piperidinyl)-2,3-dihydro-1H-indol-1-yl]carbonyl}-1H-pyrazole-3-carboxamide; anticoagulant; cardiovascular thromboembolic disorder transient ischemic attack, stroke, atherosclerosis F2, PLAT, TFPI KDM4E 3253/4885ALDH1A1 1826/4885ACHE 846/4885
US-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC KDM4E 1977/4885ALDH1A1 2690/4885ACHE 1237/4885
US-20080090807-A1 blood coagulation factor (trypsin-like serine protease enzymes) inhibitor; 3-(4-methoxy-phenyl)-5-[4-(2-oxo-2H-pyridin-1-yl)-phenyl]-3,5,6,7-tetrahydro-[1,2,3]triazolo4,5-c]pyridin-4-one; anticoagulant; cardiovascular thromboembolic disorder transient ischemic attack, stroke, atherosclerosis PLAT, TFPI, SPINT2 KDM4E 2598/4885ALDH1A1 2480/4885ACHE 723/4885

“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.