SCHEMBL4592792

SCHEMBL4592792

CC(=O)NC(Cc1ccc(Br)cc1)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.47
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
CYP1A2 P05177 1/20 0.42
FPR3 P25089 2/20 0.39
FPR2 P25090 2/20 0.39
MME P08473 1/20 0.39
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
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
SCHEMBL4591234 0.86 ACACB (0.44) ACACBITGB3ITGA2BCYP1A2FPR3
SCHEMBL4592035 0.75 MME (0.39) ACACBITGB3ITGA2BFPR3FPR2
SCHEMBL22806810 0.74 MME (0.40) FPR3FPR2MMEDPP4
SCHEMBL4689046 0.72 LTA4H (0.55) CYP1A2SMN1; SMN2
SCHEMBL23748758 0.70 ACACB (0.82) ACACB
SCHEMBL27922372 0.70 ACACB (0.82) ACACB
SCHEMBL166099 0.70 ACACB (0.82) ACACB
SCHEMBL1697537 0.69 ACACB (0.56) ACACB
SCHEMBL5368051 0.69 NPC1 (0.45) CYP1A2SMN1; SMN2
SCHEMBL8109196 0.69 PSMB8 (0.43) ITGB3ITGA2BCYP1A2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3236/4885ITGB3 3930/4885ITGA2B 2660/4885

“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.