SCHEMBL14749417

SCHEMBL14749417

O=C(NC1CCCCCC1)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 5/20 0.51
▸ PAX8 Q06710 1/20 0.43
▸ CSNK1E P49674 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ CNR1 P21554 3/20 0.40
▸ CNR2 P34972 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.39

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
SCHEMBL14749391 0.87 PRCP (0.51) PRCPLMNACYP1A2CYP3A4CYP2C9
SCHEMBL12184246 0.87 PRCP (0.51) PRCPLMNACYP1A2CYP3A4CYP2C9
SCHEMBL14749396 0.87 PRCP (0.51) PRCPALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL14736875 0.86 PRCP (0.59) PRCPPOLBCYP1A2CYP3A4CYP2C9
SCHEMBL14749390 0.85 PRCP (0.49) PRCPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14749389 0.85 PRCP (0.49) PRCPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14749398 0.84 PRCP (0.53) PRCPPOLBLMNACYP1A2CYP3A4
SCHEMBL14749387 0.84 PRCP (0.49) PRCPMEN1KMT2A
SCHEMBL14749364 0.84 PRCP (0.55) PRCPALDH1A1POLBSMN1; SMN2HSD17B10
SCHEMBL14749336 0.84 PRCP (0.55) PRCPALDH1A1POLBSMN1; SMN2HSD17B10

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 1 patent. 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

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 1/4885PAX8 3534/4885CSNK1E 1803/4885

“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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