SCHEMBL14749294

SCHEMBL14749294

CNC(=O)N1CC(c2cc(-c3ccc(C)cc3)nn2-c2ncccn2)CCC1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 7/20 0.47
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ GRM5 P41594 2/20 0.37
▸ KCNJ6 P48051 1/20 0.37
▸ KCNJ3 P48549 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ PRMT5 O14744 2/20 0.35
▸ WDR77 Q9BQA1 2/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL12184137 0.92 PRCP (0.56) PRCPALDH1A1KDM4EGRM5NTRK1
SCHEMBL12184228 0.92 PRCP (0.56) PRCPALDH1A1KDM4EGRM5NTRK1
SCHEMBL14749284 0.89 PRCP (0.49) PRCPALDH1A1LMNAMEN1MAPT
SCHEMBL12183915 0.85 PRCP (0.43) PRCPALDH1A1LMNAMEN1MAPT
SCHEMBL14752639 0.83 PRCP (0.52) PRCPALDH1A1MEN1MAPTKMT2A
SCHEMBL14737070 0.82 PRCP (0.54) PRCPMEN1MAPTKMT2APOLB
SCHEMBL12184748 0.82 PRCP (0.50) PRCPALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL14736813 0.81 PRCP (0.56) PRCPSMN1; SMN2GRM5NPC1RAB9A
SCHEMBL14737395 0.81 PRCP (0.56) PRCPSMN1; SMN2GRM5NPC1RAB9A
SCHEMBL12183916 0.81 PRCP (0.58) PRCPALDH1A1LMNAHTTGRM5

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 1/4885ALDH1A1 661/4885LMNA 3736/4885

“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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