SCHEMBL14650742

SCHEMBL14650742

CC(C)(C)OC(=O)N1CCC2(CC1)OC(c1cc(Cl)cc[n+]1[O-])c1ccccc12

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 7/20 0.58
▸ TACR1 P25103 1/20 0.39
▸ CCR5 P51681 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ STS P08842 3/20 0.37
▸ MC4R P32245 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
SCHEMBL14650758 0.88 PRCP (0.53) PRCPGRM5
SCHEMBL14650744 0.80 PRCP (0.57) PRCP
SCHEMBL15894613 0.76 PRCP (0.66) PRCPMEN1KMT2A
SCHEMBL12175462 0.76 PRCP (0.58) PRCP
SCHEMBL5312189 0.74 SIGMAR1 (0.49) TACR1MEN1KMT2A
SCHEMBL14650788 0.73 PRCP (1.00) PRCP
SCHEMBL25359666 0.71 MC4R (0.48) MEN1KMT2ASTSMC4R
SCHEMBL30623422 0.71 MC4R (0.48) MEN1KMT2ASTSMC4R
SCHEMBL25358733 0.71 MEN1 (0.45) MEN1KMT2ASTSMC4R
SCHEMBL30623464 0.71 MEN1 (0.45) MEN1KMT2ASTSMC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563764-B1 NOVEL SPIROPIPERIDINE PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME (US) 2015-02-25 — — EP disclosed
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 1/4885TACR1 809/4885CCR5 3835/4885

“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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