SCHEMBL4591234

SCHEMBL4591234

CC(=O)NC(Cc1ccc(Br)cc1)C1CCCNC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.44
FPR2 P25090 2/20 0.41
CYP1A2 P05177 1/20 0.39
CPN1 P15169 1/20 0.37
CPB2 Q96IY4 1/20 0.37
CTSC P53634 2/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
FPR3 P25089 1/20 0.37
DPP4 P27487 1/20 0.36
FAP Q12884 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL4592792 0.86 ACACB (0.47) ACACBFPR2CYP1A2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL1623808 0.76 CTSC (0.44) CPN1CPB2CTSC
Hydrochloric Acid SCHEMBL1623813 0.76 CTSC (0.44) CPN1CPB2CTSC
SCHEMBL1624127 0.69 SMYD3 (0.42) CTSC
SCHEMBL1624124 0.69 SMYD3 (0.42) CTSC
SCHEMBL23748758 0.68 ACACB (0.82) ACACB
SCHEMBL166099 0.68 ACACB (0.82) ACACB
SCHEMBL27922372 0.68 ACACB (0.82) ACACB
SCHEMBL8326152 0.68 MC4R (0.37) CTSC
SCHEMBL8326340 0.68 CTSC (0.43) CTSC

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
CN-101296906-A (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INT (DE) 2008-10-29 CN disclosed
EP-1943231-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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 (1 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 ACACB 3236/4885FPR2 223/4885CYP1A2 667/4885

“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.