SCHEMBL14736875

SCHEMBL14736875

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 6/20 0.59
▸ NAMPT P43490 3/20 0.40
▸ PROKR1 Q8TCW9 1/20 0.40
▸ SLC6A7 Q99884 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GRM5 P41594 2/20 0.39
▸ CLPP Q16740 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ POLB P06746 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
SCHEMBL14749328 0.87 PRCP (0.61) PRCPNAMPTPROKR1GRM5
SCHEMBL14749330 0.86 PRCP (0.57) PRCPNAMPTPROKR1GRM5
SCHEMBL14749343 0.86 PRCP (0.56) PRCPGRM5KDM4E
SCHEMBL14749336 0.86 PRCP (0.55) PRCPNAMPTKDM4ENPSR1POLB
SCHEMBL14749359 0.86 PRCP (0.55) PRCPNAMPTPROKR1SLC6A7GRM5
SCHEMBL14736412 0.86 PRCP (0.53) PRCPPOLB
SCHEMBL14749417 0.86 PRCP (0.51) PRCPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14749364 0.86 PRCP (0.55) PRCPNAMPTKDM4ENPSR1POLB
SCHEMBL14749361 0.86 PRCP (0.53) PRCPMEN1KMT2A
SCHEMBL14749360 0.86 PRCP (0.60) PRCPNAMPTCYP1A2CYP3A4CYP2C9

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 1 patent. 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

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 1/4885NAMPT 799/4885PROKR1 757/4885

“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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