SCHEMBL14736790

SCHEMBL14736790

Clc1ccc(-c2cc(C3CNC(CCc4ccccc4)CO3)n(-c3ncccn3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 10/20 0.58
▸ DRD4 P21917 6/20 0.38
▸ DRD2 P14416 4/20 0.38
▸ DRD3 P35462 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL12184022 1.00 PRCP (0.58) PRCPDRD4DRD2DRD3KDM4E
SCHEMBL14749293 0.92 PRCP (0.49) PRCPMEN1NPC1RAB9AKMT2A
SCHEMBL14736703 0.79 PRCP (0.55) PRCPDRD4DRD2MEN1KMT2A
SCHEMBL12183895 0.76 PRCP (0.56) PRCPDRD4DRD2DRD3
SCHEMBL14737307 0.76 PRCP (0.56) PRCPDRD4DRD2DRD3
SCHEMBL14749289 0.76 PRCP (0.56) PRCPDRD4DRD2DRD3NPC1
SCHEMBL14749288 0.75 PRCP (0.45) PRCPKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL12184058 0.75 PRCP (0.56) PRCPDRD4NPC1RAB9ASMN1; SMN2
SCHEMBL12185580 0.74 PRCP (1.00) PRCPDRD4DRD2DRD3MEN1
SCHEMBL14749309 0.74 PRCP (0.49) PRCPSMN1; SMN2

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
US-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP 2013-03-07 — — US disclosed
US-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP 2013-03-07 — — US disclosed
US-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP 2013-03-07 — — 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-20130059830-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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