SCHEMBL12185983

SCHEMBL12185983

O=C(O)C(CN1CCC(c2cc(-c3ccc(Cl)cc3)nn2-c2ncccn2)CC1)c1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 10/20 0.85
▸ NTSR1 P30989 1/20 0.41
▸ DRD4 P21917 5/20 0.39
▸ DRD2 P14416 3/20 0.39
▸ DRD3 P35462 3/20 0.39
▸ CCKAR P32238 1/20 0.38
▸ CHRM4 P08173 1/20 0.38

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
SCHEMBL14701327 0.92 PRCP (0.84) PRCPDRD4DRD2DRD3CCKAR
SCHEMBL12185582 0.92 PRCP (1.00) PRCP
SCHEMBL12185577 0.91 PRCP (0.86) PRCPNTSR1DRD4CCKARCHRM4
SCHEMBL12185581 0.88 PRCP (1.00) PRCPDRD4DRD2DRD3
SCHEMBL14701325 0.84 PRCP (0.86) PRCPDRD4DRD2DRD3
SCHEMBL12185627 0.84 PRCP (1.00) PRCP
SCHEMBL12186022 0.82 PRCP (0.68) PRCPDRD4DRD2DRD3
SCHEMBL14686708 0.80 PRCP (0.65) PRCP
SCHEMBL14701354 0.80 PRCP (0.84) PRCP
SCHEMBL14701323 0.80 PRCP (0.84) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2568812-B1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME (US) 2016-10-26 — — EP disclosed
EP-2568812-B1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME (US) 2016-10-26 — — EP disclosed
US-9365539-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-14 — — US disclosed
US-9365539-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-14 — — US disclosed
US-9365539-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-14 — — US disclosed
US-20130040929-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-14 — — US disclosed
US-20130040929-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-14 — — US disclosed
US-20130040929-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-14 — — US disclosed
WO-2011143057-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-11-17 — — 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-20130040929-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS PRCP, PREP, ENPEP PRCP 1/4885NTSR1 3479/4885DRD4 4740/4885

“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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