SCHEMBL14749396

SCHEMBL14749396

O=C(NCC1CCCCC1)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 5/20 0.51
▸ CYP2C9 P11712 2/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ KCNQ3 O43525 2/20 0.37
▸ KCNQ2 O43526 2/20 0.37
▸ P2RX7 Q99572 1/20 0.36
▸ MAPK8 P45983 3/20 0.36
▸ MAPK10 P53779 3/20 0.36
▸ MAPK14 Q16539 3/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 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
SCHEMBL14749336 0.87 PRCP (0.55) PRCPALDH1A1KCNQ3KCNQ2
SCHEMBL14749364 0.87 PRCP (0.55) PRCPALDH1A1KCNQ3KCNQ2
SCHEMBL14749417 0.87 PRCP (0.51) PRCPCYP2C9KMT2ACYP1A2CYP3A4
SCHEMBL12184132 0.86 PRCP (0.51) PRCPCYP2C9EPHX2KMT2AALDH1A1
SCHEMBL14736554 0.85 PRCP (0.51) PRCPEPHX2ALDH1A1
SCHEMBL14749394 0.85 PRCP (0.56) PRCPCYP2C9EPHX2KMT2AALDH1A1
SCHEMBL14749412 0.85 PRCP (0.50) PRCPCYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL14749414 0.84 PRCP (0.51) PRCPCYP2C9EPHX2CYP1A2CYP3A4
SCHEMBL14736875 0.84 PRCP (0.59) PRCPCYP2C9KMT2ACYP1A2CYP3A4
SCHEMBL14749388 0.84 PRCP (0.54) PRCPCYP2C9EPHX2CYP2C19ALDH1A1

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 1/4885CYP2C9 1027/4885EPHX2 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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