SCHEMBL14737395

SCHEMBL14737395

O=C(O)N1C[C@H](c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)CC[C@H]1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 8/20 0.56
▸ GRM5 P41594 2/20 0.37
▸ SLC6A9 P48067 1/20 0.37
▸ NAMPT P43490 2/20 0.36
▸ NT5E P21589 1/20 0.36
▸ SCD5 Q86SK9 2/20 0.36
▸ NTRK1 P04629 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SCD O00767 1/20 0.34

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
SCHEMBL14736813 1.00 PRCP (0.56) PRCPGRM5SLC6A9NAMPTNT5E
SCHEMBL14737070 0.91 PRCP (0.54) PRCPGRM5SCD5NTRK1NPC1
SCHEMBL12184228 0.90 PRCP (0.56) PRCPGRM5SLC6A9NAMPTNT5E
SCHEMBL12183916 0.90 PRCP (0.58) PRCPGRM5SLC6A9NAMPTNT5E
SCHEMBL12184137 0.90 PRCP (0.56) PRCPGRM5SLC6A9NAMPTNT5E
SCHEMBL14749314 0.90 PRCP (0.58) PRCPGRM5SLC6A9NAMPTNT5E
SCHEMBL12184583 0.88 PRCP (0.52) PRCPNT5E
SCHEMBL14737198 0.83 PRCP (0.55) PRCP
SCHEMBL14749294 0.81 PRCP (0.47) PRCPGRM5NTRK1NPC1RAB9A
SCHEMBL14749284 0.81 PRCP (0.49) PRCPGRM5NTRK1NPC1RAB9A

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 1/4885GRM5 3785/4885SLC6A9 3307/4885

“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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