SCHEMBL14749330

SCHEMBL14749330

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 6/20 0.57
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PROKR1 Q8TCW9 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ MAP3K12 Q12852 1/20 0.36
▸ NAMPT P43490 2/20 0.36
▸ KCNQ3 O43525 1/20 0.36
▸ KCNQ2 O43526 1/20 0.36
▸ GRM5 P41594 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
SCHEMBL14749328 0.92 PRCP (0.61) PRCPALDH1A1SMN1; SMN2PROKR1MAP3K12
SCHEMBL14749329 0.87 PRCP (0.59) PRCPALDH1A1SMN1; SMN2GFER
SCHEMBL14749326 0.87 PRCP (0.55) PRCPALDH1A1SMN1; SMN2PROKR1HRH3
SCHEMBL14749332 0.86 PRCP (0.54) PRCPALDH1A1SMN1; SMN2PROKR1HRH3
SCHEMBL14736875 0.86 PRCP (0.59) PRCPPROKR1NAMPTGRM5
SCHEMBL14736412 0.86 PRCP (0.53) PRCP
SCHEMBL14749364 0.86 PRCP (0.55) PRCPALDH1A1SMN1; SMN2NAMPTKCNQ3
SCHEMBL14749343 0.86 PRCP (0.56) PRCPALDH1A1HRH3GRM5
SCHEMBL14749336 0.86 PRCP (0.55) PRCPALDH1A1SMN1; SMN2NAMPTKCNQ3
SCHEMBL14749316 0.85 PRCP (0.57) PRCPALDH1A1SMN1; SMN2MAP3K12

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 661/4885SMN1; SMN2 4754/4885

“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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