SCHEMBL14749390

SCHEMBL14749390

O=C(N[C@@H]1CCc2ccccc21)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 5/20 0.49
▸ EPHX1 P07099 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ AADAT Q8N5Z0 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PRMT5 O14744 3/20 0.38
▸ WDR77 Q9BQA1 3/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PFKFB3 Q16875 1/20 0.37
▸ DGAT2 Q96PD7 1/20 0.37
▸ P2RX7 Q99572 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 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
SCHEMBL14749389 1.00 PRCP (0.49) PRCPEPHX1EPHX2AADATCYP1A2
SCHEMBL14749387 0.96 PRCP (0.49) PRCPMEN1KMT2APFKFB3P2RX7
SCHEMBL14749417 0.85 PRCP (0.51) PRCPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14749327 0.85 PRCP (0.50) PRCPPFKFB3
SCHEMBL14736875 0.82 PRCP (0.59) PRCPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14749398 0.80 PRCP (0.53) PRCPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14749394 0.80 PRCP (0.56) PRCPEPHX2CYP2C9KMT2AMAPT
SCHEMBL12184132 0.79 PRCP (0.51) PRCPEPHX2CYP2C9MEN1KMT2A
SCHEMBL14749321 0.79 PRCP (0.55) PRCPPRMT5WDR77MEN1KMT2A
SCHEMBL14749396 0.79 PRCP (0.51) PRCPEPHX2CYP1A2CYP3A4CYP2C9

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 1/4885EPHX1 1892/4885EPHX2 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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