SCHEMBL14749359

SCHEMBL14749359

O=C(N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1)C1(C(F)(F)F)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 6/20 0.55
▸ PSEN1 P49768 2/20 0.38
▸ PSEN2 P49810 2/20 0.38
▸ APH1B Q8WW43 2/20 0.38
▸ NCSTN Q92542 2/20 0.38
▸ APH1A Q96BI3 2/20 0.38
▸ PSENEN Q9NZ42 2/20 0.38
▸ HSD11B1 P28845 2/20 0.37
▸ MAP3K12 Q12852 1/20 0.36
▸ NAMPT P43490 2/20 0.36
▸ CSNK1D P48730 2/20 0.36
▸ CSNK1E P49674 2/20 0.36
▸ PROKR1 Q8TCW9 1/20 0.36
▸ SLC6A7 Q99884 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ CLPP Q16740 1/20 0.35

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) PRCPNAMPTPROKR1SLC6A7GRM5
SCHEMBL14749328 0.85 PRCP (0.61) PRCPMAP3K12NAMPTCSNK1DCSNK1E
SCHEMBL14749361 0.83 PRCP (0.53) PRCPHSD11B1
SCHEMBL14749329 0.83 PRCP (0.59) PRCP
SCHEMBL14749325 0.83 PRCP (0.49) PRCPHSD11B1
SCHEMBL14736412 0.82 PRCP (0.53) PRCP
SCHEMBL14749330 0.82 PRCP (0.57) PRCPMAP3K12NAMPTPROKR1GRM5
SCHEMBL14752561 0.80 PRCP (0.62) PRCPMAP3K12PROKR1
SCHEMBL14749343 0.80 PRCP (0.56) PRCPGRM5
SCHEMBL14749364 0.80 PRCP (0.55) PRCPNAMPT

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 1 patent. 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

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 1/4885PSEN1 916/4885PSEN2 1918/4885

“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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