SCHEMBL3798775

SCHEMBL3798775

CS(=O)(=O)Nc1cccc(C(=O)NC2CCCc3ccccc3C2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.58
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK14 Q16539 3/20 0.47
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
GRM5 P41594 3/20 0.44
MEN1 O00255 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
SCHEMBL3801162 0.84 KMT2A (0.53) ALDH1A1LMNAKMT2ANPSR1MEN1
SCHEMBL3800473 0.84 TAS1R3 (0.46) PRMT5ALDH1A1SMN1; SMN2MAPK14LMNA
SCHEMBL3808531 0.83 MCL1 (0.49) PRMT5ALDH1A1POLBLMNAKMT2A
SCHEMBL3799323 0.82 HPGD (0.44) PRMT5ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL2456736 0.79 PRMT5 (0.52) PRMT5ALDH1A1SMN1; SMN2MAPK14POLB
SCHEMBL3796503 0.79 KDM4E (0.70) ALDH1A1SMN1; SMN2POLBLMNAKMT2A
SCHEMBL3798850 0.78 TAS1R3 (0.47) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL3798848 0.76 NPC1 (0.52) ALDH1A1SMN1; SMN2POLBLMNAKMT2A
SCHEMBL3798846 0.76 NPC1 (0.52) ALDH1A1SMN1; SMN2POLBLMNAKMT2A
SCHEMBL3805082 0.75 CTSS (0.58) PRMT5ALDH1A1SMN1; SMN2MAPK14POLB

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 PRMT5 235/4885ALDH1A1 343/4885SMN1; SMN2 976/4885
US-20040225013-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents VEGFA, NR1H2, EDNRA PRMT5 235/4885ALDH1A1 343/4885SMN1; SMN2 976/4885

“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.