SCHEMBL14650759

SCHEMBL14650759

CC(C)(C)OC(=O)N1CCC2(CC1)OC(O)(c1cc(Cl)cc(Cl)c1)c1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 4/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ TSHR P16473 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ TACR1 P25103 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CCR5 P51681 1/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ SCD5 Q86SK9 1/20 0.39
▸ AVPR1A P37288 1/20 0.39

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
SCHEMBL14650755 0.86 POLB (0.45) STSPDK2OPRD1OPRK1MEN1
SCHEMBL12175484 0.85 KDM1A (0.40) STSPDK2CCR5AVPR1A
SCHEMBL12175568 0.83 POLB (0.41) PDK2OPRD1OPRK1MEN1KMT2A
SCHEMBL12175571 0.82 POLB (0.43) STSPDK2OPRD1OPRK1MEN1
SCHEMBL30005896 0.77 STS (0.49) STSTSHRALOX15ATMOPRD1
SCHEMBL14650760 0.73 POLB (0.44) OPRD1OPRK1MEN1KMT2ASCD5
SCHEMBL29892887 0.73 STS (0.50) STSTSHRALOX15ATMTACR1
SCHEMBL15804316 0.73 MEN1 (0.49) STSOPRD1OPRK1MEN1KMT2A
SCHEMBL3028439 0.73 STS (0.50) STSTSHRALOX15ATMTACR1
SCHEMBL653342 0.73 STS (0.47) STSPDK2TSHRALOX15ATM

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 STS 163/4885PDK2 194/4885TSHR 2375/4885

“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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