SCHEMBL14749361

SCHEMBL14749361

O=C(N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1)C1(c2ccccc2)CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 5/20 0.53
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HSD11B1 P28845 11/20 0.43
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ GPR55 Q9Y2T6 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
SCHEMBL14749325 0.89 PRCP (0.49) PRCPHSD11B1RAB9ACNR1GPR55
SCHEMBL14736875 0.86 PRCP (0.59) PRCPMEN1KMT2A
SCHEMBL14749359 0.83 PRCP (0.55) PRCPHSD11B1
SCHEMBL14749343 0.80 PRCP (0.56) PRCP
SCHEMBL14749336 0.80 PRCP (0.55) PRCPSMN1; SMN2
SCHEMBL14749364 0.80 PRCP (0.55) PRCPSMN1; SMN2
SCHEMBL14749417 0.80 PRCP (0.51) PRCPMEN1KMT2ASMN1; SMN2CNR1
SCHEMBL14749360 0.80 PRCP (0.60) PRCP
SCHEMBL14749328 0.79 PRCP (0.61) PRCPSMN1; SMN2
SCHEMBL14749327 0.78 PRCP (0.50) 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 1/4885MEN1 3238/4885KMT2A 2172/4885

“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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