SCHEMBL2598787

SCHEMBL2598787

Clc1ccc(-c2cc(C3CCC(c4ccccc4)NC3)n(-c3ncccn3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 12/20 0.56
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ DRD2 P14416 2/20 0.34
▸ DRD4 P21917 2/20 0.34
▸ DRD3 P35462 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34

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
SCHEMBL12184580 1.00 PRCP (0.56) PRCPMEN1KMT2ANPC1RAB9A
SCHEMBL14749291 0.91 PRCP (0.46) PRCPMEN1KMT2ANPC1RAB9A
SCHEMBL14749308 0.91 PRCP (0.54) PRCPMEN1KMT2ANPC1RAB9A
SCHEMBL12184727 0.91 PRCP (0.54) PRCPMEN1KMT2ANPC1RAB9A
SCHEMBL12185513 0.78 PRCP (0.62) PRCPMEN1KMT2ANPC1RAB9A
SCHEMBL12184095 0.78 PRCP (0.55) PRCPMEN1KMT2ANPC1RAB9A
SCHEMBL2599450 0.78 PRCP (0.55) PRCPMEN1KMT2ANPC1RAB9A
SCHEMBL14737070 0.77 PRCP (0.54) PRCPMEN1KMT2ANPC1RAB9A
SCHEMBL12184147 0.76 PRCP (0.60) PRCPMEN1KMT2ANPC1RAB9A
SCHEMBL14749421 0.75 PRCP (0.55) PRCPMEN1KMT2ANPC1RAB9A

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-2571359-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-03-27 — — EP disclosed
US-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP 2013-03-07 — — US disclosed
WO-2011146354-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-11-24 — — 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-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS PRCP, PREP, ENPEP PRCP 1/4885MEN1 3238/4885KMT2A 2172/4885

“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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