SCHEMBL14749360

SCHEMBL14749360

O=C(C(c1ccccc1)C1CCCC1)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 6/20 0.60
▸ CHRM3 P20309 8/20 0.41
▸ NAMPT P43490 2/20 0.37
▸ C3AR1 Q16581 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL14736875 0.86 PRCP (0.59) PRCPNAMPTCYP1A2CYP3A4CYP2C9
SCHEMBL14749417 0.82 PRCP (0.51) PRCPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12184246 0.82 PRCP (0.51) PRCPNAMPTCYP1A2CYP3A4CYP2C9
SCHEMBL14749391 0.82 PRCP (0.51) PRCPNAMPTCYP1A2CYP3A4CYP2C9
SCHEMBL14749364 0.80 PRCP (0.55) PRCPNAMPT
SCHEMBL14749336 0.80 PRCP (0.55) PRCPNAMPT
SCHEMBL14749361 0.80 PRCP (0.53) PRCP
SCHEMBL14749328 0.79 PRCP (0.61) PRCPNAMPT
SCHEMBL14749398 0.79 PRCP (0.53) PRCPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14736412 0.78 PRCP (0.53) 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 1/4885CHRM3 4870/4885NAMPT 799/4885

“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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