SCHEMBL4176227

SCHEMBL4176227

O=C(C#Cc1cccc(Cl)c1)N(CCc1ccccc1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 4/20 0.44
MBTPS1 Q14703 2/20 0.44
OPRM1 P35372 4/20 0.43
PTGES O14684 2/20 0.43
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.41
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
PTPRC P08575 1/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
AGER Q15109 1/20 0.38

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
SCHEMBL4177596 0.82 PTGES (0.47) PTGESMEN1KMT2APTPRC
SCHEMBL4166960 0.80 PTGES (0.48) PTGESMEN1KMT2APTPRC
SCHEMBL4180234 0.79 PTGES (0.50) PTGESMEN1KMT2APTPRC
SCHEMBL4175735 0.73 FFAR1 (0.41) PTGESPTPRC
SCHEMBL4176091 0.72 ALDH1A1 (0.45) PTGESPTPRC
SCHEMBL4164285 0.72 TAAR1 (0.45) PTGES
SCHEMBL4175948 0.72 ALDH1A1 (0.43) PTGES
SCHEMBL4170992 0.72 FFAR1 (0.43) PTGES
SCHEMBL4174070 0.72 KMT2A (0.55) PTGESMEN1KMT2A
SCHEMBL4181760 0.71 TAAR1 (0.47) OPRM1PTGESHTR2BSIGMAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090182020-A1 SUBSTITUTED BIS(HETERO)AROMATIC N--ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS GRUNENTHAL GMBH (DE) 2009-07-16 US claimed
US-20090182020-A1 SUBSTITUTED BIS(HETERO)AROMATIC N--ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS GRUNENTHAL GMBH (DE) 2009-07-16 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 (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-20090182020-A1 SUBSTITUTED BIS(HETERO)AROMATIC N--ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS FHIT, CYP3A43, DNPEP C5AR1 4112/4885MBTPS1 3948/4885OPRM1 606/4885

“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.