SCHEMBL13073495

SCHEMBL13073495

CN[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.58
▸ POLB P06746 1/20 0.56
▸ OPRM1 P35372 1/20 0.53
▸ MMP8 P22894 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ CYP3A4 P08684 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PSMB1 P20618 1/20 0.51
▸ PSMB5 P28074 1/20 0.51
▸ PSMB2 P49721 1/20 0.51

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
SCHEMBL16254367 1.00 KMT2A (0.58) KMT2APOLBOPRM1MMP8CYP2D6
SCHEMBL18603451 0.89 KMT2A (0.69) KMT2A
SCHEMBL23154816 0.88 L3MBTL1 (0.65) POLBMMP8CYP3A4TSHRL3MBTL1
SCHEMBL23154817 0.88 L3MBTL1 (0.65) POLBMMP8CYP3A4TSHRL3MBTL1
SCHEMBL23154665 0.88 L3MBTL1 (0.65) POLBMMP8CYP3A4TSHRL3MBTL1
SCHEMBL22175312 0.88 CYP3A4 (0.68) KMT2ACYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL18647233 0.87 KMT2A (0.54) KMT2AOPRM1MMP8
SCHEMBL27563081 0.86 ACE (0.61) CYP3A4TSHRL3MBTL1
SCHEMBL27563079 0.86 ACE (0.61) CYP3A4TSHRL3MBTL1
SCHEMBL18435286 0.85 KMT2A (0.56) KMT2APOLBMMP8CYP2D6CYP2C9

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-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-11-18 — — 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-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC3, BIRC2 KMT2A 3331/4885POLB 522/4885OPRM1 3904/4885

“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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