SCHEMBL12184147

SCHEMBL12184147

Clc1ccc(-c2cc([C@H]3CC[C@H](c4ccccc4)N(Cc4ccccc4)C3)n(-c3ncccn3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 11/20 0.60
▸ DRD2 P14416 5/20 0.41
▸ DRD4 P21917 5/20 0.41
▸ DRD3 P35462 5/20 0.41
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2599450 0.84 PRCP (0.55) PRCPNPC1RAB9ACYP1A2MAPT
SCHEMBL12184095 0.84 PRCP (0.55) PRCPNPC1RAB9ACYP1A2MAPT
SCHEMBL14749421 0.84 PRCP (0.55) PRCPNPC1RAB9ACYP1A2MAPT
SCHEMBL14737070 0.83 PRCP (0.54) PRCPNPC1RAB9AMAPTKDM4E
SCHEMBL12184748 0.80 PRCP (0.50) PRCPMAPTSMN1; SMN2
SCHEMBL14752639 0.79 PRCP (0.52) PRCPMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL14749302 0.78 PRCP (0.48) PRCPMAPTSMN1; SMN2
SCHEMBL2598787 0.76 PRCP (0.56) PRCPDRD2DRD4DRD3NPC1
SCHEMBL12184580 0.76 PRCP (0.56) PRCPDRD2DRD4DRD3NPC1
SCHEMBL12185580 0.75 PRCP (1.00) PRCPDRD2DRD4DRD3CYP1A2

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
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 1/4885DRD2 4864/4885DRD4 4740/4885

“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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