SCHEMBL14749385

SCHEMBL14749385

CC(C)(C)c1ccc(NC(=O)N2CCCC(c3cc(-c4ccc(F)cc4)nn3-c3ncccn3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 3/20 0.49
▸ MAPK1 P28482 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ RAB9A P51151 2/20 0.42
▸ CNR2 P34972 5/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TRPV1 Q8NER1 3/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ TRPM8 Q7Z2W7 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
SCHEMBL14749410 0.88 PRCP (0.49) PRCPMAPK1MAPTCYP1A2CYP3A4
SCHEMBL14749386 0.86 PRCP (0.54) PRCPMAPK1MAPTCYP1A2CYP3A4
SCHEMBL14749398 0.82 PRCP (0.53) PRCPMAPK1MAPTCYP1A2CYP3A4
SCHEMBL14736875 0.82 PRCP (0.59) PRCPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12184175 0.82 PRCP (0.52) PRCPMAPK1MAPTCYP1A2CYP3A4
SCHEMBL14736412 0.81 PRCP (0.53) PRCPPOLB
SCHEMBL14749417 0.81 PRCP (0.51) PRCPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14749330 0.81 PRCP (0.57) PRCP
SCHEMBL12184246 0.80 PRCP (0.51) PRCPMAPK1MAPTCYP1A2CYP3A4
SCHEMBL14749391 0.80 PRCP (0.51) PRCPMAPK1MAPTCYP1A2CYP3A4

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 2751/4885MAPT 3765/4885

“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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