SCHEMBL3796503

SCHEMBL3796503

CN(C)c1cccc(C(=O)NC2CCCc3ccccc3C2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.70
NPC1 O15118 2/20 0.70
RAB9A P51151 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
HSD17B10 Q99714 2/20 0.70
GFER P55789 1/20 0.70
HTT P42858 1/20 0.57
GRM5 P41594 4/20 0.54
ALDH1A1 P00352 2/20 0.51
MCHR1 Q99705 1/20 0.50
LMNA P02545 1/20 0.48
NAMPT P43490 1/20 0.47
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL3394422 0.93 KDM4E (0.65) KDM4ENPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL3395360 0.93 KDM4E (0.65) KDM4ENPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL3394419 0.93 KDM4E (0.65) KDM4ENPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL3797879 0.82 TAS1R3 (0.47) KDM4ENPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL3797876 0.82 TAS1R3 (0.47) KDM4ENPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL3800966 0.81 PRMT5 (0.51) KDM4ENPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL3801162 0.81 KMT2A (0.53) HSD17B10HTTALDH1A1LMNATSHR
SCHEMBL3798775 0.79 PRMT5 (0.58) NPC1RAB9ASMN1; SMN2GRM5ALDH1A1
SCHEMBL3798848 0.78 NPC1 (0.52) KDM4ENPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL3798846 0.78 NPC1 (0.52) KDM4ENPC1RAB9ASMN1; SMN2HSD17B10

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 KDM4E 435/4885NPC1 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 KDM4E 435/4885NPC1 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.