SCHEMBL14749383

SCHEMBL14749383

O=C(NCCc1ccc(Cl)cc1Cl)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 5/20 0.49
▸ EPHX2 P34913 10/20 0.43
▸ CXCR3 P49682 1/20 0.42
▸ MC5R P33032 1/20 0.42
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CYP2J2 P51589 1/20 0.41
▸ CNR1 P21554 2/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ P2RX7 Q99572 1/20 0.40

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
SCHEMBL12184132 0.89 PRCP (0.51) PRCPEPHX2CYP2C9
SCHEMBL14749388 0.86 PRCP (0.54) PRCPEPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL14736554 0.86 PRCP (0.51) PRCPEPHX2
SCHEMBL14749283 0.85 PRCP (0.49) PRCPEPHX2CYP2C9
SCHEMBL14749384 0.83 PRCP (0.51) PRCP
SCHEMBL14749394 0.83 PRCP (0.56) PRCPEPHX2CYP2C9CYP2J2
SCHEMBL14749396 0.82 PRCP (0.51) PRCPEPHX2CYP2C9CYP2C19P2RX7
SCHEMBL14749412 0.81 PRCP (0.50) PRCPCYP2C9CYP2C19
SCHEMBL14749414 0.80 PRCP (0.51) PRCPEPHX2CYP2C9CYP2C19
SCHEMBL14749338 0.80 PRCP (0.65) PRCP

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-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP 2013-03-07 — — US disclosed
US-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP 2013-03-07 — — 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-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS PRCP, PREP, ENPEP PRCP 1/4885EPHX2 2859/4885CXCR3 4573/4885

“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.

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