SCHEMBL14749387

SCHEMBL14749387

O=C(NC1CCCc2ccccc21)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 5/20 0.49
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ PFKFB3 Q16875 1/20 0.42
▸ TAS1R3 Q7RTX0 2/20 0.41
▸ TAS1R1 Q7RTX1 2/20 0.41
▸ TAS1R2 Q8TE23 1/20 0.41
▸ DHODH Q02127 1/20 0.40
▸ P2RX7 Q99572 2/20 0.39
▸ TNF P01375 1/20 0.39
▸ NOD2 Q9HC29 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ ROCK2 O75116 2/20 0.38
▸ ROCK1 Q13464 2/20 0.38
▸ NPSR1 Q6W5P4 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
SCHEMBL14749390 0.96 PRCP (0.49) PRCPKMT2AMEN1PFKFB3P2RX7
SCHEMBL14749389 0.96 PRCP (0.49) PRCPKMT2AMEN1PFKFB3P2RX7
SCHEMBL14749327 0.87 PRCP (0.50) PRCPPFKFB3
SCHEMBL14749417 0.84 PRCP (0.51) PRCPKMT2AMEN1
SCHEMBL14736875 0.81 PRCP (0.59) PRCPKMT2AMEN1NPSR1
SCHEMBL14749398 0.79 PRCP (0.53) PRCPKMT2AMEN1NPSR1
SCHEMBL14749394 0.79 PRCP (0.56) PRCPKMT2A
SCHEMBL14749321 0.79 PRCP (0.55) PRCPKMT2AMEN1
SCHEMBL12184132 0.79 PRCP (0.51) PRCPKMT2AMEN1
SCHEMBL14749396 0.79 PRCP (0.51) PRCPKMT2AP2RX7

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 1/4885KMT2A 2172/4885MEN1 3238/4885

“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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