SCHEMBL4592035

SCHEMBL4592035

CC(=O)N(C)C(Cc1ccc(Br)cc1)C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.39
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 3/20 0.37
FPR3 P25089 2/20 0.36
FPR2 P25090 2/20 0.36
ACACB O00763 2/20 0.35
DPP4 P27487 1/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRD1 P41143 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33

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 0.75 ACACB (0.47) MMEFPR3FPR2ACACBDPP4
SCHEMBL18361920 0.74 CPN1 (0.39) SLC6A2SLC6A4SLC6A3OPRD1
SCHEMBL22806810 0.73 MME (0.40) MMESLC6A4FPR3FPR2DPP4
SCHEMBL12813300 0.69 MME (0.47) MMEACACBMEN1KMT2A
SCHEMBL12813302 0.69 MME (0.47) MMEACACBMEN1KMT2A
SCHEMBL548295 0.68 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL4745249 0.67 ACACB (0.44) MMEACACBMEN1KMT2AOPRD1
SCHEMBL9347148 0.66 CPN1 (0.38) SLC6A2SLC6A4SLC6A3DPP4OPRD1
SCHEMBL1867578 0.65 ACACB (0.49) MMEACACBMEN1KMT2A
SCHEMBL12459110 0.65 MME (0.53) MMEACACBMEN1KMT2A

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 MME 1849/4885SLC6A2 1420/4885SLC6A4 1549/4885

“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.