SCHEMBL14650758

SCHEMBL14650758

CC1CC2(CCN1C(=O)OC(C)(C)C)OC(c1cc(Cl)cc[n+]1[O-])c1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 9/20 0.53
▸ NR1H2 P55055 6/20 0.36
▸ RXRA P19793 5/20 0.36
▸ NR1H3 Q13133 5/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ KDM1A O60341 2/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 2/20 0.34

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
SCHEMBL14650742 0.88 PRCP (0.58) PRCPGRM5
SCHEMBL14650767 0.82 PRCP (0.51) PRCPNR1H2GRM5JAK2JAK1
SCHEMBL15894619 0.76 PRCP (0.54) PRCP
SCHEMBL14650770 0.76 PRCP (0.66) PRCP
SCHEMBL15894636 0.73 PRCP (0.63) PRCP
SCHEMBL14650828 0.72 PRCP (0.79) PRCP
SCHEMBL15894613 0.71 PRCP (0.66) PRCP
SCHEMBL12175462 0.71 PRCP (0.58) PRCP
SCHEMBL14650782 0.69 JAK2 (0.39) NR1H2RXRANR1H3GRM5KDM1A
SCHEMBL30623411 0.69 GRM5 (0.37) NR1H2RXRANR1H3GRM5KDM1A

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 2 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-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 1/4885NR1H2 1429/4885RXRA 3905/4885

“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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