SCHEMBL14749356

SCHEMBL14749356

N#Cc1cccc(CC(=O)N2CCCC(c3cc(-c4ccc(F)cc4)nn3-c3ncccn3)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 5/20 0.54
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ MAP3K12 Q12852 2/20 0.38
▸ PDE2A O00408 2/20 0.37
▸ SLC6A7 Q99884 1/20 0.37
▸ PDE3A Q14432 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ BCL2A1 Q16548 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RIPK1 Q13546 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
SCHEMBL14752663 0.88 PRCP (0.56) PRCPALDH1A1SMN1; SMN2KDM4EMAP3K12
SCHEMBL14749365 0.87 PRCP (0.60) PRCPALDH1A1SMN1; SMN2SYKKDM4E
SCHEMBL14749320 0.85 PRCP (0.58) PRCPALDH1A1SMN1; SMN2SYKKDM4E
SCHEMBL14749316 0.85 PRCP (0.57) PRCPALDH1A1SMN1; SMN2KDM4EMAP3K12
SCHEMBL14752561 0.83 PRCP (0.62) PRCPALDH1A1SMN1; SMN2SYKKDM4E
SCHEMBL14749319 0.83 PRCP (0.57) PRCPALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL14749329 0.83 PRCP (0.59) PRCPALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL12184104 0.83 PRCP (0.51) PRCPALDH1A1SMN1; SMN2KDM4EMAP3K12
SCHEMBL12183983 0.81 PRCP (0.64) PRCPALDH1A1SMN1; SMN2SYKKDM4E
SCHEMBL14749328 0.81 PRCP (0.61) PRCPALDH1A1SMN1; SMN2MAP3K12MAPT

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 661/4885SMN1; SMN2 4754/4885

“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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