SCHEMBL14749316

SCHEMBL14749316

Cc1ccc(CC(=O)N2CCCC(c3cc(-c4ccc(F)cc4)nn3-c3ncccn3)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 5/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ MAP3K12 Q12852 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ POLB P06746 2/20 0.43
▸ GRIN2B Q13224 1/20 0.41
▸ PDE2A O00408 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.38

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
SCHEMBL14752561 0.90 PRCP (0.62) PRCPSMN1; SMN2ALDH1A1MAP3K12KDM4E
SCHEMBL14749333 0.89 PRCP (0.59) PRCPSMN1; SMN2ALDH1A1MAP3K12KDM4E
SCHEMBL14749320 0.88 PRCP (0.58) PRCPSMN1; SMN2ALDH1A1MAP3K12KDM4E
SCHEMBL14749414 0.88 PRCP (0.51) PRCPSMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL14749323 0.87 PRCP (0.51) PRCPSMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL14752663 0.87 PRCP (0.56) PRCPSMN1; SMN2ALDH1A1MAP3K12KDM4E
SCHEMBL14749283 0.86 PRCP (0.49) PRCPSMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL14749365 0.85 PRCP (0.60) PRCPSMN1; SMN2ALDH1A1MAP3K12KDM4E
SCHEMBL14749330 0.85 PRCP (0.57) PRCPSMN1; SMN2ALDH1A1MAP3K12
SCHEMBL14749319 0.85 PRCP (0.57) PRCPSMN1; SMN2ALDH1A1KDM4EGAA

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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