SCHEMBL12186013

SCHEMBL12186013

Clc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)nn2-c2ncccn2)cc1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 7/20 0.75
▸ DRD4 P21917 12/20 0.56
▸ DRD2 P14416 10/20 0.56
▸ DRD3 P35462 10/20 0.52
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CACNA1B Q00975 1/20 0.45

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
SCHEMBL14701348 0.90 PRCP (0.81) PRCPDRD4DRD2DRD3CYP1A2
SCHEMBL12185551 0.89 PRCP (0.73) PRCPDRD4DRD2DRD3CYP1A2
SCHEMBL12185527 0.87 PRCP (0.70) PRCPDRD4DRD2DRD3CYP1A2
SCHEMBL12185625 0.86 PRCP (1.00) PRCPDRD4DRD2DRD3CYP1A2
SCHEMBL12185982 0.85 PRCP (0.68) PRCPDRD4DRD2DRD3CYP1A2
SCHEMBL12185580 0.85 PRCP (1.00) PRCPDRD4DRD2DRD3CYP1A2
SCHEMBL14686570 0.84 PRCP (0.62) PRCPDRD4DRD2DRD3CYP2D6
SCHEMBL14687101 0.84 PRCP (0.67) PRCPDRD4DRD2DRD3CYP1A2
SCHEMBL12185972 0.83 PRCP (0.65) PRCPDRD4DRD2DRD3CYP1A2
SCHEMBL12186005 0.82 PRCP (0.74) PRCPDRD4DRD2DRD3CYP1A2

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 5 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-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 1/4885DRD4 4740/4885DRD2 4864/4885

“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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