SCHEMBL14749398

SCHEMBL14749398

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 6/20 0.53
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PROKR1 Q8TCW9 1/20 0.37
▸ MAPK8 P45983 3/20 0.36
▸ MAPK10 P53779 3/20 0.36
▸ MAPK14 Q16539 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAP3K12 Q12852 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL14749391 0.89 PRCP (0.51) PRCPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12184246 0.89 PRCP (0.51) PRCPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14736875 0.84 PRCP (0.59) PRCPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12184175 0.84 PRCP (0.52) PRCPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14749417 0.84 PRCP (0.51) PRCPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14749410 0.82 PRCP (0.49) PRCPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14749396 0.82 PRCP (0.51) PRCPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12184132 0.82 PRCP (0.51) PRCPCYP2C9MEN1KMT2A
SCHEMBL14749414 0.82 PRCP (0.51) PRCPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14749385 0.82 PRCP (0.49) PRCPCYP1A2CYP3A4CYP2C9CYP2C19

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 1/4885CYP1A2 1395/4885CYP3A4 1527/4885

“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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