SCHEMBL12175490

SCHEMBL12175490

CC(C)(C)OC(=O)N1CCC2(CC1)OC(=O)c1ccccc12

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
NPY5R Q15761 14/20 0.51
SIGMAR1 Q99720 1/20 0.50
HSD11B1 P28845 4/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL349129 0.93 HSD11B1 (0.55) HRH3NPY5RSIGMAR1HSD11B1CYP2D6
SCHEMBL30476276 0.87 HSD11B1 (0.46) HRH3NPY5RSIGMAR1HSD11B1CYP2D6
SCHEMBL30508369 0.85 AVPR1A (0.48) HRH3NPY5R
SCHEMBL20955151 0.85 NR1H2 (0.49) HRH3NPY5R
SCHEMBL17586448 0.85 ALK (0.43) HRH3NPY5R
SCHEMBL11840173 0.84 HRH3 (0.55) HRH3NPY5RSIGMAR1HSD11B1CYP2D6
SCHEMBL2103144 0.82 AVPR1A (0.50)
SCHEMBL1223123 0.82 STS (0.46) NPY5RHSD11B1CYP2D6
SCHEMBL6079968 0.82 PDK2 (0.49) NPY5RHSD11B1CYP2D6
SCHEMBL4505432 0.82 NPC1L1 (0.48) HSD11B1CYP2D6

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 6 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
WO-2011137024-A1 NOVEL SPIROPIPERIDINE PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-11-03 WO 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 HRH3 4638/4885NPY5R 1864/4885SIGMAR1 4376/4885

“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.