SCHEMBL3801162

SCHEMBL3801162

CS(=O)(=O)c1cccc(C(=O)NC2CCCc3ccccc3C2)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 2/20 0.52
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 2/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.50
AKR1C3 P42330 1/20 0.49
GAA P10253 3/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL3798775 0.84 PRMT5 (0.58) KMT2ANPSR1LMNAALDH1A1MEN1
SCHEMBL3802886 0.82 KMT2A (0.53) KMT2ALMNAALDH1A1TSHRHTT
SCHEMBL12157459 0.81 ALDH1A1 (0.60) KMT2ALMNAALDH1A1HSD17B10HTT
SCHEMBL3796503 0.81 KDM4E (0.70) KMT2ALMNAALDH1A1HSD17B10TSHR
SCHEMBL3800473 0.79 TAS1R3 (0.46) NPSR1LMNAALDH1A1TSHR
SCHEMBL3808531 0.78 MCL1 (0.49) KMT2ANPSR1LMNAALDH1A1HTT
SCHEMBL3798846 0.77 NPC1 (0.52) KMT2ALMNAALDH1A1HSD17B10HTT
SCHEMBL3798848 0.77 NPC1 (0.52) KMT2ALMNAALDH1A1HSD17B10HTT
SCHEMBL3805082 0.77 CTSS (0.58) KMT2ALMNAALDH1A1TSHRMEN1
SCHEMBL3797267 0.76 NPC1 (0.54) KMT2ALMNAALDH1A1HSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709478-B2 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 US disclosed
EP-1362027-B1 ACYLATED 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENYL AMINES AND THEIR USE AS PHARMACEUTICAL SANOFI AVENTIS DEUTSCHLAND (DE) 2008-05-21 EP disclosed
US-20040225013-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-11 US disclosed
US-6759412-B2 FOR PRODUCING DRUGS USED FOR THERAPY OF CARDIOVASCULAR DISEASES, STABLE OR UNSTABLE ANGINA PECTORIS, CORONARY HEART DISEASE, PRINZMETAL ANGINA, ACUTE CORONARY SYNDROME, HEART FAILURE, MYOCARDIAL INFARCTION, STROKE, THROMBOSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-06 US disclosed
EP-1362027-A2 ACYLATED 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENYL AMINES AND THEIR USE AS PHARMACEUTICAL Aventis Pharma Deutschland GmbH (DE) 2003-11-19 EP disclosed
US-20030008915-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-01-09 US disclosed
WO-2002064546-A2 ACYLATED 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENYL AMINES AND THEIR USE AS PHARMACEUTICAL AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 WO 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 (2 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-20030008915-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents VEGFA, NR1H2, EDNRA KMT2A 776/4885NPSR1 2138/4885LMNA 1390/4885
US-20040225013-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents VEGFA, NR1H2, EDNRA KMT2A 776/4885NPSR1 2138/4885LMNA 1390/4885

“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.