SCHEMBL14701320

SCHEMBL14701320

Cc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n(-c3ccccc3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 6/20 0.66
▸ DRD4 P21917 8/20 0.51
▸ DRD2 P14416 6/20 0.51
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ DRD3 P35462 6/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.46
▸ ACHE P22303 1/20 0.45
▸ HRH1 P35367 1/20 0.44

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
SCHEMBL14691670 0.92 PRCP (0.69) PRCPDRD4DRD2MAPTDRD3
SCHEMBL12185619 0.90 PRCP (0.79) PRCPDRD4DRD2ALDH1A1NPC1
SCHEMBL14701326 0.89 PRCP (0.83) PRCPDRD4DRD2ALDH1A1DRD3
SCHEMBL14686651 0.88 PRCP (0.76) PRCPDRD4DRD2ALDH1A1NPC1
SCHEMBL14701322 0.87 PRCP (0.68) PRCPDRD4DRD2ALDH1A1DRD3
SCHEMBL12185531 0.84 PRCP (0.69) PRCPDRD4DRD2ALDH1A1DRD3
SCHEMBL12185593 0.84 PRCP (0.72) PRCPDRD4DRD2ALDH1A1NPC1
SCHEMBL12185623 0.83 PRCP (0.69) PRCPDRD4DRD2ALDH1A1DRD3
SCHEMBL12185591 0.83 PRCP (0.69) PRCPDRD4DRD2ALDH1A1DRD3
SCHEMBL12185553 0.82 PRCP (0.73) PRCPDRD4DRD2ALDH1A1DRD3

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 3 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
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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