SCHEMBL14749336

SCHEMBL14749336

O=C(CC1CCCCC1)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 6/20 0.55
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KCNQ3 O43525 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAPT P10636 1/20 0.38
▸ HRH1 P35367 1/20 0.37
▸ SLC6A15 Q9H2J7 1/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ BTK Q06187 1/20 0.36

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
SCHEMBL14749364 1.00 PRCP (0.55) PRCPALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL14749343 0.88 PRCP (0.56) PRCPALDH1A1KDM4EMAPTHRH1
SCHEMBL14749396 0.87 PRCP (0.51) PRCPALDH1A1KCNQ3KCNQ2
SCHEMBL14749328 0.86 PRCP (0.61) PRCPALDH1A1SMN1; SMN2MAPTNAMPT
SCHEMBL14736875 0.86 PRCP (0.59) PRCPKDM4EPOLBNPSR1NAMPT
SCHEMBL14749330 0.86 PRCP (0.57) PRCPALDH1A1SMN1; SMN2KCNQ3KCNQ2
SCHEMBL14749329 0.85 PRCP (0.59) PRCPALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL14749326 0.85 PRCP (0.55) PRCPALDH1A1SMN1; SMN2NAMPT
SCHEMBL14749344 0.84 PRCP (0.53) PRCPALDH1A1MAPTHRH1
SCHEMBL14749332 0.84 PRCP (0.54) PRCPALDH1A1KDM4EHSD17B10SMN1; SMN2

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 661/4885KDM4E 576/4885

“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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