SCHEMBL14701326

SCHEMBL14701326

Cc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n(-c3ncccn3)n2)cc1

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 10/20 0.83
▸ DRD4 P21917 9/20 0.48
▸ DRD2 P14416 7/20 0.48
▸ DRD3 P35462 6/20 0.47
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ ACHE P22303 1/20 0.43

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
SCHEMBL12185580 0.91 PRCP (1.00) PRCPDRD4DRD2DRD3CYP1A2
SCHEMBL14701322 0.90 PRCP (0.68) PRCPDRD4DRD2DRD3CYP1A2
SCHEMBL14686540 0.90 PRCP (0.83) PRCPDRD4DRD2DRD3
SCHEMBL14701320 0.89 PRCP (0.66) PRCPDRD4DRD2DRD3CYP1A2
SCHEMBL14701323 0.82 PRCP (0.84) PRCPMEN1KMT2A
SCHEMBL12185552 0.81 PRCP (0.82) PRCPDRD4DRD2DRD3CYP1A2
SCHEMBL14701324 0.81 PRCP (0.66) PRCPDRD4DRD2DRD3TSHR
SCHEMBL14749289 0.81 PRCP (0.56) PRCPDRD4DRD2DRD3ALDH1A1
SCHEMBL14691670 0.81 PRCP (0.69) PRCPDRD4DRD2DRD3ACHE
SCHEMBL12185590 0.80 PRCP (0.68) PRCPDRD4DRD2DRD3

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-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

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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