SCHEMBL3804022

SCHEMBL3804022

O=C(NC1CCCc2ccccc2C1)c1cncc(N2CCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
WNT1 P04628 3/20 0.43
DYRK1A Q13627 3/20 0.43
CHRNB4 P30926 3/20 0.43
CHRNA3 P32297 3/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
SMYD3 Q9H7B4 2/20 0.41
TAOK1 Q7L7X3 1/20 0.41
TAOK3 Q9H2K8 1/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
BMPR1B O00238 1/20 0.41
BMPR1A P36894 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVRL1 P37023 1/20 0.41
ACVR1 Q04771 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
SCHEMBL3802520 0.93 CTSS (0.50) POLBTAS1R3TAS1R1TAS1R2CHRNB4
SCHEMBL3797917 0.92 RIPK2 (0.46) POLBTAS1R3TAS1R1TAS1R2CHRNB4
SCHEMBL3798846 0.86 NPC1 (0.52) POLBTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL3798848 0.86 NPC1 (0.52) POLBTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL3797267 0.85 NPC1 (0.54) POLBTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL3805096 0.82 SMYD3 (0.56) POLBTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL3797249 0.80 HPGDS (0.59) ALDH1A1TSHR
SCHEMBL3796001 0.80 HPGDS (0.59) ALDH1A1TSHR
SCHEMBL3805082 0.79 CTSS (0.58) POLBALDH1A1TSHRMTNR1AMTNR1B
SCHEMBL3798283 0.79 PRMT5 (0.61) ALDH1A1

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 4 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
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 POLB 2962/4885TAS1R3 3212/4885TAS1R1 2604/4885
US-20040225013-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents VEGFA, NR1H2, EDNRA POLB 2962/4885TAS1R3 3212/4885TAS1R1 2604/4885

“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.