SCHEMBL14749410

SCHEMBL14749410

Cc1cc(NC(=O)N2CCCC(c3cc(-c4ccc(F)cc4)nn3-c3ncccn3)C2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 3/20 0.49
▸ MAPT P10636 3/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ TSHR P16473 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL14749385 0.88 PRCP (0.49) PRCPMAPTMAPK1CYP1A2CYP3A4
SCHEMBL14749398 0.82 PRCP (0.53) PRCPMAPTMAPK1CYP1A2CYP3A4
SCHEMBL14736875 0.82 PRCP (0.59) PRCPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12184175 0.82 PRCP (0.52) PRCPMAPTMAPK1CYP1A2CYP3A4
SCHEMBL14749386 0.82 PRCP (0.54) PRCPMAPTMAPK1CYP1A2CYP3A4
SCHEMBL14749417 0.82 PRCP (0.51) PRCPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14749414 0.81 PRCP (0.51) PRCPMAPTMAPK1CYP1A2CYP3A4
SCHEMBL14749394 0.80 PRCP (0.56) PRCPMAPTCYP2C9KDM4ELMNA
SCHEMBL14749391 0.80 PRCP (0.51) PRCPMAPTMAPK1CYP1A2CYP3A4
SCHEMBL12184246 0.80 PRCP (0.51) PRCPMAPTMAPK1CYP1A2CYP3A4

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 1/4885MAPT 3765/4885MAPK1 2751/4885

“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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