SCHEMBL14749345

SCHEMBL14749345

O=C(CCc1ccccn1)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 5/20 0.55
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.45
▸ GAA P10253 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ PAX8 Q06710 1/20 0.42
▸ RECQL P46063 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NAMPT P43490 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
SCHEMBL14749329 0.86 PRCP (0.59) PRCPALDH1A1MAPTKDM4E
SCHEMBL14749340 0.86 PRCP (0.51) PRCPMAPTNAMPT
SCHEMBL14749347 0.85 PRCP (0.50) PRCPALDH1A1MAPTKDM4ERECQL
SCHEMBL14749328 0.84 PRCP (0.61) PRCPALDH1A1MAPTNAMPT
SCHEMBL14749344 0.84 PRCP (0.53) PRCPALDH1A1MAPT
SCHEMBL14736875 0.84 PRCP (0.59) PRCPKDM4EPOLBNAMPT
SCHEMBL14749343 0.83 PRCP (0.56) PRCPALDH1A1MAPTKDM4E
SCHEMBL14749330 0.83 PRCP (0.57) PRCPALDH1A1NAMPT
SCHEMBL14749364 0.83 PRCP (0.55) PRCPALDH1A1MAPTKDM4EPOLB
SCHEMBL14749336 0.83 PRCP (0.55) PRCPALDH1A1MAPTKDM4EPOLB

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 1/4885ALDH1A1 661/4885MAPK1 2751/4885

“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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