SCHEMBL14749394

SCHEMBL14749394

O=C(NCc1ccccc1F)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 5/20 0.56
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.42
▸ ATM Q13315 1/20 0.41
▸ EPHX2 P34913 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2J2 P51589 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ BTK Q06187 1/20 0.39

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
SCHEMBL14749388 0.92 PRCP (0.54) PRCPALDH1A1MAPTEPHX2CYP2C9
SCHEMBL14736554 0.87 PRCP (0.51) PRCPALDH1A1LMNAMAPTEPHX2
SCHEMBL14749412 0.87 PRCP (0.50) PRCPKDM4EALDH1A1MAPTCYP2C9
SCHEMBL14749414 0.86 PRCP (0.51) PRCPKDM4EALDH1A1MAPTEPHX2
SCHEMBL12184132 0.85 PRCP (0.51) PRCPALDH1A1EPHX2CYP2C9KMT2A
SCHEMBL14749396 0.85 PRCP (0.51) PRCPALDH1A1EPHX2CYP2C9KMT2A
SCHEMBL14749383 0.83 PRCP (0.49) PRCPEPHX2CYP2C9CYP2J2
SCHEMBL14736875 0.82 PRCP (0.59) PRCPKDM4ECYP2C9KMT2A
SCHEMBL14749417 0.82 PRCP (0.51) PRCPALDH1A1LMNACYP2C9KMT2A
SCHEMBL14749283 0.82 PRCP (0.49) PRCPALDH1A1MAPTEPHX2CYP2C9

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 1/4885KDM4E 576/4885ALDH1A1 661/4885

“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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