SCHEMBL14749414

SCHEMBL14749414

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 4/20 0.51
▸ POLB P06746 2/20 0.48
▸ EPHX2 P34913 2/20 0.48
▸ MAPK1 P28482 2/20 0.45
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ CYP2D6 P10635 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ EPHX1 P07099 1/20 0.41
▸ MCHR1 Q99705 1/20 0.40
▸ GPBAR1 Q8TDU6 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40

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
SCHEMBL14736554 0.93 PRCP (0.51) PRCPPOLBEPHX2MAPTALDH1A1
SCHEMBL14749283 0.92 PRCP (0.49) PRCPPOLBEPHX2MAPK1MAPT
SCHEMBL14749412 0.89 PRCP (0.50) PRCPMAPK1MAPTALDH1A1KDM4E
SCHEMBL12184132 0.88 PRCP (0.51) PRCPEPHX2ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL14749316 0.88 PRCP (0.57) PRCPPOLBMAPK1MAPTALDH1A1
SCHEMBL14749394 0.86 PRCP (0.56) PRCPEPHX2MAPTALDH1A1KDM4E
SCHEMBL14749388 0.85 PRCP (0.54) PRCPEPHX2MAPTALDH1A1CYP2C9
SCHEMBL14749396 0.84 PRCP (0.51) PRCPEPHX2ALDH1A1CYP1A2CYP3A4
SCHEMBL14749384 0.84 PRCP (0.51) PRCPPOLBMAPK1ALDH1A1KDM4E
SCHEMBL14749325 0.82 PRCP (0.49) PRCP

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 1/4885POLB 3298/4885EPHX2 2859/4885

“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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