SCHEMBL14650755

SCHEMBL14650755

CC(C)(C)OC(=O)N1CCC2(CC1)OC(O)(c1cc(Cl)cc(Cl)c1)c1cccnc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ STS P08842 2/20 0.39
▸ CCR5 P51681 1/20 0.39
▸ GPR119 Q8TDV5 3/20 0.38
▸ PRCP P42785 1/20 0.38
▸ FNTA P49354 4/20 0.37
▸ FNTB P49356 4/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP3A5 P20815 1/20 0.37
▸ DTYMK P23919 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL12175571 0.95 POLB (0.43) POLBOPRD1OPRK1STSCCR5
SCHEMBL14650760 0.87 POLB (0.44) POLBOPRD1OPRK1GPR119FNTA
SCHEMBL14650759 0.86 STS (0.42) OPRD1OPRK1STSCCR5PDK2
SCHEMBL16844856 0.77 AVPR1A (0.48) POLBOPRD1OPRK1GPR119DTYMK
SCHEMBL14650751 0.77 PRCP (0.63) POLBGPR119PRCPFNTAFNTB
SCHEMBL12175568 0.77 POLB (0.41) POLBOPRD1OPRK1GPR119FNTA
SCHEMBL30005896 0.75 STS (0.49) POLBOPRD1OPRK1STSMEN1
SCHEMBL12175484 0.75 KDM1A (0.40) STSCCR5PDK2
SCHEMBL4013541 0.73 POLB (0.56) POLBOPRD1OPRK1STSGPR119
SCHEMBL12701629 0.72 AVPR1A (0.50) POLBOPRD1OPRK1GPR119DTYMK

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 POLB 3422/4885OPRD1 2918/4885OPRK1 2834/4885

“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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