SCHEMBL3797277

SCHEMBL3797277

O=C(NC1CCCc2ccccc2C1)c1ccc(F)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.64
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 1/20 0.48
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GRM5 P41594 6/20 0.44
TAS1R3 Q7RTX0 3/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
TAS1R2 Q8TE23 3/20 0.43
LMNA P02545 1/20 0.43
ACKR3 P25106 1/20 0.42

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
SCHEMBL3802033 0.88 HPGD (0.47) HPGDNPC1RAB9AALDH1A1MTNR1A
SCHEMBL3796486 0.80 NPC1 (0.62) NPC1RAB9AALDH1A1MTNR1AMTNR1B
SCHEMBL3800601 0.79 NPC1 (0.49) NPC1RAB9AALDH1A1MTNR1AMTNR1B
SCHEMBL3803417 0.78 SLC6A12 (0.55) NPC1RAB9AALDH1A1MTNR1AMTNR1B
SCHEMBL3797272 0.76 MTNR1A (0.46) NPC1RAB9AALDH1A1MTNR1AMTNR1B
SCHEMBL3797275 0.76 MTNR1A (0.46) NPC1RAB9AALDH1A1MTNR1AMTNR1B
SCHEMBL3802112 0.76 MTNR1A (0.49) HPGDNPC1RAB9AALDH1A1MTNR1A
SCHEMBL3799323 0.74 HPGD (0.44) HPGDNPC1RAB9AALDH1A1MTNR1A
SCHEMBL14988991 0.74 NPC1 (0.52) HPGDNPC1RAB9AALDH1A1MTNR1A
SCHEMBL2458645 0.73 SLC6A12 (0.46) HPGDNPC1RAB9AALDH1A1SMN1; SMN2

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 HPGD 929/4885NPC1 498/4885RAB9A 1984/4885
US-20040225013-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents VEGFA, NR1H2, EDNRA HPGD 929/4885NPC1 498/4885RAB9A 1984/4885

“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.