SCHEMBL3797272

SCHEMBL3797272

Nc1nc(Cl)ccc1C(=O)N[C@H]1CCCc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.46
MTNR1B P49286 4/20 0.46
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A12 P48065 1/20 0.43
ALDH1A1 P00352 2/20 0.42
ADORA2A P29274 1/20 0.42
TAS1R3 Q7RTX0 4/20 0.39
TAS1R1 Q7RTX1 4/20 0.39
TAS1R2 Q8TE23 4/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CHRM4 P08173 1/20 0.39
SYK P43405 1/20 0.38
GRM5 P41594 1/20 0.38
AXL P30530 1/20 0.38
MERTK Q12866 1/20 0.38

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
SCHEMBL3797275 1.00 MTNR1A (0.46) MTNR1AMTNR1BGAAKMT2ASLC6A12
SCHEMBL3803417 0.88 SLC6A12 (0.55) MTNR1AMTNR1BGAAKMT2ASLC6A12
SCHEMBL25151972 0.81 GAA (0.54) GAAKMT2ASLC6A12ALDH1A1NPC1
SCHEMBL3796915 0.81 ALDH1A1 (0.48) MTNR1AMTNR1BGAAKMT2AALDH1A1
Hydrochloric Acid SCHEMBL6757015 0.81 ALDH1A1 (0.47) MTNR1AMTNR1BGAAKMT2AALDH1A1
SCHEMBL3802112 0.80 MTNR1A (0.49) MTNR1AMTNR1BGAASLC6A12ALDH1A1
SCHEMBL3797883 0.77 MTNR1A (0.51) MTNR1AMTNR1BGAAALDH1A1ADORA2A
SCHEMBL3796879 0.77 ALDH1A1 (0.68) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL3798778 0.76 MTNR1A (0.50) MTNR1AMTNR1BGAAALDH1A1ADORA2A
SCHEMBL3797277 0.76 HPGD (0.64) MTNR1AMTNR1BALDH1A1TAS1R3TAS1R1

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 MTNR1A 589/4885MTNR1B 371/4885GAA 3339/4885
US-20040225013-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents VEGFA, NR1H2, EDNRA MTNR1A 589/4885MTNR1B 371/4885GAA 3339/4885

“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.