SCHEMBL3797917

SCHEMBL3797917

O=C(NC1CCCc2ccccc2C1)c1cncc(N2CCOCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.46
TAOK3 Q9H2K8 1/20 0.46
BMPR1B O00238 1/20 0.45
BMPR1A P36894 1/20 0.45
TGFBR1 P36897 1/20 0.45
ACVRL1 P37023 1/20 0.45
ACVR1 Q04771 1/20 0.45
POLB P06746 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
PLOD2 O00469 2/20 0.44
PLOD3 O60568 2/20 0.44
PLOD1 Q02809 2/20 0.44
USP30 Q70CQ3 1/20 0.43
MAPT P10636 2/20 0.42
GSK3B P49841 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41

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
SCHEMBL3804022 0.92 POLB (0.47) TAOK3BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL3802520 0.89 CTSS (0.50) RIPK2POLBTAS1R3TAS1R1TAS1R2
SCHEMBL3802513 0.87 KMO (0.53) TAOK3POLBPLOD2PLOD3PLOD1
SCHEMBL3801840 0.81 PRMT5 (0.61) POLBUSP30ALDH1A1PRMT5HPGD
SCHEMBL3794527 0.80 PRMT5 (0.61) USP30MAPTALDH1A1PRMT5HPGD
SCHEMBL7786671 0.80 USP30 (0.58) TAOK3USP30MAPTALDH1A1TP53
SCHEMBL3805096 0.79 SMYD3 (0.56) POLBTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL3798848 0.78 NPC1 (0.52) POLBTAS1R3TAS1R1TAS1R2USP30
SCHEMBL3798846 0.78 NPC1 (0.52) POLBTAS1R3TAS1R1TAS1R2USP30
SCHEMBL3797267 0.77 NPC1 (0.54) TAOK3POLBTAS1R3TAS1R1TAS1R2

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 5 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
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

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 RIPK2 4669/4885TAOK3 4307/4885BMPR1B 444/4885
US-20040225013-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents VEGFA, NR1H2, EDNRA RIPK2 4669/4885TAOK3 4307/4885BMPR1B 444/4885

“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.