SCHEMBL14650744

SCHEMBL14650744

CC(C)(C)OC(=O)N1CCC2(CC1)OC(c1cc(Cl)ccn1)c1ccccc12

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 12/20 0.57
▸ OPRD1 P41143 2/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ FNTA P49354 2/20 0.40
▸ FNTB P49356 2/20 0.40

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
SCHEMBL14650767 0.87 PRCP (0.51) PRCPOPRD1KCNH2
SCHEMBL14650742 0.80 PRCP (0.58) PRCP
SCHEMBL12175568 0.76 POLB (0.41) OPRD1POLBOPRK1FNTAFNTB
SCHEMBL14650751 0.76 PRCP (0.63) PRCPPOLBFNTAFNTB
SCHEMBL5312189 0.75 SIGMAR1 (0.49) OPRD1OPRK1
SCHEMBL14650738 0.75 PRCP (0.87) PRCPOPRD1OPRK1
SCHEMBL1977326 0.74 GPR119 (0.50) POLB
SCHEMBL25359666 0.72 MC4R (0.48) FNTAFNTB
SCHEMBL30623422 0.72 MC4R (0.48) FNTAFNTB
SCHEMBL14650760 0.72 POLB (0.44) OPRD1POLBOPRK1FNTAFNTB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785634-B2 Spiropiperidine prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP (US) 2014-07-22 — — US disclosed
US-8785634-B2 Spiropiperidine prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP (US) 2014-07-22 — — US disclosed
US-20130023515-A1 NOVEL SPIROPIPERIDINE PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-01-24 — — US disclosed
US-20130023515-A1 NOVEL SPIROPIPERIDINE PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-01-24 — — 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-20130023515-A1 NOVEL SPIROPIPERIDINE PROLYLCARBOXYPEPTIDASE INHIBITORS PRCP, PREP, PEPD PRCP 1/4885OPRD1 2918/4885KCNH2 3705/4885

“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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