SCHEMBL12175462

SCHEMBL12175462

[O-][n+]1ccc(Cl)cc1C1OC2(CCNCC2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 13/20 0.58
▸ SIGMAR1 Q99720 3/20 0.39
▸ KCNH2 Q12809 2/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HRH1 P35367 1/20 0.32

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
SCHEMBL12175500 0.77 PRCP (0.54) PRCPSIGMAR1KCNH2OPRD1
SCHEMBL15894613 0.77 PRCP (0.66) PRCP
SCHEMBL14650742 0.76 PRCP (0.58) PRCP
SCHEMBL12175569 0.74 PRCP (0.56) PRCPSIGMAR1KCNH2OPRD1HTR1A
SCHEMBL14650788 0.74 PRCP (1.00) PRCPOPRD1
SCHEMBL15894611 0.73 PRCP (0.73) PRCP
SCHEMBL14650790 0.73 PRCP (0.74) PRCPHTR1AADRA1DADRA1AADRA1B
SCHEMBL29705809 0.72 OPRD1 (0.50) PRCPSIGMAR1KCNH2OPRD1DRD2
SCHEMBL4363631 0.72 OPRD1 (0.50) PRCPSIGMAR1KCNH2OPRD1DRD2
SCHEMBL15894619 0.71 PRCP (0.54) PRCP

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
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-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 PRCP 1/4885SIGMAR1 4376/4885KCNH2 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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