SCHEMBL14749391

SCHEMBL14749391

C[C@H](NC(=O)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 5/20 0.51
▸ MAPK1 P28482 2/20 0.39
▸ MAPK14 Q16539 4/20 0.37
▸ MAPK13 O15264 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ MAPK11 Q15759 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPK8 P45983 3/20 0.37
▸ MAPK10 P53779 3/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL12184246 1.00 PRCP (0.51) PRCPMAPK1MAPK14MAPK13MAPK12
SCHEMBL14749398 0.89 PRCP (0.53) PRCPMAPK1MAPK14LMNAMAPK8
SCHEMBL14749417 0.87 PRCP (0.51) PRCPLMNACYP2C9CYP1A2CYP3A4
SCHEMBL14749396 0.83 PRCP (0.51) PRCPMAPK14MAPK8MAPK10CYP2C9
SCHEMBL14736875 0.82 PRCP (0.59) PRCPCYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL12184175 0.82 PRCP (0.52) PRCPMAPK1LMNACYP2C9CYP1A2
SCHEMBL14749360 0.82 PRCP (0.60) PRCPCYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL14749336 0.80 PRCP (0.55) PRCPNAMPTMAPT
SCHEMBL14749364 0.80 PRCP (0.55) PRCPNAMPTMAPT
SCHEMBL14749410 0.80 PRCP (0.49) PRCPMAPK1MAPK14LMNAMAPK8

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 2 patents. 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
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 1/4885MAPK1 2751/4885MAPK14 2584/4885

“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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