SCHEMBL14749288

SCHEMBL14749288

Cc1ccc(-c2nc([C@@H]3CN[C@@H](CCc4ccccc4)CO3)n(-c3ncccn3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 3/20 0.45
▸ ATM Q13315 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.32
▸ SMN1; SMN2 Q16637 5/20 0.32
▸ POLB P06746 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ LMNA P02545 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31

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
SCHEMBL12183923 0.91 PRCP (0.56) PRCPADORA3SMN1; SMN2POLBLMNA
SCHEMBL12184058 0.91 PRCP (0.56) PRCPADORA3SMN1; SMN2POLBLMNA
SCHEMBL14749293 0.83 PRCP (0.49) PRCPTDP1SMN1; SMN2POLBMAPT
SCHEMBL14736790 0.75 PRCP (0.58) PRCPSMN1; SMN2LMNAKDM4ENPC1
SCHEMBL12184022 0.75 PRCP (0.58) PRCPSMN1; SMN2LMNAKDM4ENPC1
SCHEMBL14749289 0.71 PRCP (0.56) PRCPSMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL14737278 0.71 PRCP (0.55) PRCPADORA3POLBMAPTLMNA
SCHEMBL14749311 0.68 PRCP (0.49) PRCPLMNATSHRTP53
SCHEMBL14686658 0.64 PRCP (0.72) PRCP
SCHEMBL12186035 0.64 PRCP (0.68) PRCPTSHRALDH1A1CYP2D6CYP1A2

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 1 patent. 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

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 1/4885ATM 4157/4885TDP1 2664/4885

“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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