SCHEMBL14749324

SCHEMBL14749324

O=C(Cn1cc2ccccc2n1)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 5/20 0.53
▸ GRM5 P41594 2/20 0.41
▸ HRH1 P35367 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ NAMPT P43490 3/20 0.38
▸ IRAK4 Q9NWZ3 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GFER P55789 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
SCHEMBL14749343 0.84 PRCP (0.56) PRCPGRM5HRH1CYP2D6KDM4E
SCHEMBL14749321 0.84 PRCP (0.55) PRCPGRM5HRH1CYP2D6NAMPT
SCHEMBL14749320 0.82 PRCP (0.58) PRCPGRM5HRH1CYP2D6NAMPT
SCHEMBL14749342 0.82 PRCP (0.53) PRCPGRM5HRH1CYP2D6KDM4E
SCHEMBL12183983 0.82 PRCP (0.64) PRCPNAMPTKDM4E
SCHEMBL14749328 0.81 PRCP (0.61) PRCPGRM5NAMPT
SCHEMBL14749350 0.81 PRCP (0.53) PRCPGRM5GFER
SCHEMBL14736875 0.81 PRCP (0.59) PRCPGRM5NAMPTKDM4E
SCHEMBL14749330 0.81 PRCP (0.57) PRCPGRM5NAMPTGFER
SCHEMBL14749364 0.81 PRCP (0.55) PRCPHRH1NAMPTKDM4E

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 1/4885GRM5 3785/4885HRH1 4207/4885

“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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