SCHEMBL14749293

SCHEMBL14749293

Cc1ccc(-c2cc([C@@H]3CN[C@@H](CCc4ccccc4)CO3)n(-c3ncccn3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 8/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SSTR3 P32745 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL14736790 0.92 PRCP (0.58) PRCPSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL12184022 0.92 PRCP (0.58) PRCPSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL14749289 0.84 PRCP (0.56) PRCPSMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL14749288 0.83 PRCP (0.45) PRCPSMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL12183895 0.75 PRCP (0.56) PRCP
SCHEMBL14737307 0.75 PRCP (0.56) PRCP
SCHEMBL12184052 0.75 PRCP (0.42) PRCPSMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL14701326 0.74 PRCP (0.83) PRCPALDH1A1MEN1KMT2A
SCHEMBL12184058 0.74 PRCP (0.56) PRCPSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL14749291 0.71 PRCP (0.46) PRCPSMN1; SMN2ALDH1A1MAPTNPC1

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 1/4885SMN1; SMN2 4754/4885ALDH1A1 661/4885

“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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