SCHEMBL3802033

SCHEMBL3802033

O=C(NC1CCCc2ccccc2C1)c1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
MTNR1A P48039 4/20 0.46
MTNR1B P49286 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GRM5 P41594 2/20 0.45
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
TAS1R2 Q8TE23 2/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SYK P43405 1/20 0.42
CCR3 P51677 1/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 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
SCHEMBL3797277 0.88 HPGD (0.64) HPGDMTNR1AMTNR1BGRM5TAS1R3
SCHEMBL3796486 0.82 NPC1 (0.62) MTNR1AMTNR1BL3MBTL1GRM5TAS1R3
SCHEMBL7985363 0.81 HPGD (0.63) HPGDL3MBTL1GRM5TAS1R3TAS1R1
SCHEMBL4191547 0.78 HPGD (0.71) HPGDL3MBTL1NPC1RAB9AKMT2A
SCHEMBL3800601 0.76 NPC1 (0.49) MTNR1AMTNR1BL3MBTL1GRM5TAS1R3
SCHEMBL2456117 0.75 HPGD (0.46) HPGDL3MBTL1NPC1RAB9ALMNA
SCHEMBL3797883 0.75 MTNR1A (0.51) HPGDMTNR1AMTNR1BTAS1R3TAS1R1
SCHEMBL3803417 0.75 SLC6A12 (0.55) MTNR1AMTNR1BGRM5TAS1R3TAS1R1
SCHEMBL4750983 0.74 NPC1 (0.56) HPGDL3MBTL1GRM5NPC1RAB9A
SCHEMBL3392060 0.74 MTNR1A (0.60) MTNR1AMTNR1BGRM5NPC1RAB9A

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 929/4885MTNR1A 589/4885MTNR1B 371/4885
US-20040225013-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents VEGFA, NR1H2, EDNRA HPGD 929/4885MTNR1A 589/4885MTNR1B 371/4885

“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.