SCHEMBL2290451

SCHEMBL2290451

COc1ccc(CCN(C(=O)O)C(C)(C)C)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
AOC3 Q16853 1/20 0.54
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
LDHA P00338 1/20 0.50
CDK8 P49336 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
ATM Q13315 1/20 0.47

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
SCHEMBL19742788 0.88 KDM4E (0.58) CYP3A4CYP1A2CYP2D6L3MBTL1BLM
SCHEMBL1025521 0.81 ALOX5 (0.52) AOC3ALDH1A1LDHASMN1; SMN2
SCHEMBL1029848 0.79 AOC3 (0.55) CYP1A2AOC3MEN1KMT2A
SCHEMBL14679320 0.77 CYP3A4 (0.60) CYP3A4CYP1A2CYP2D6L3MBTL1BLM
SCHEMBL22068716 0.77 L3MBTL1 (0.36) CYP3A4CYP2D6L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL5464541 0.76 ALDH1A1 (0.49) CYP3A4CYP1A2CYP2D6L3MBTL1BLM
SCHEMBL1026318 0.75 AOC3 (0.53) CYP3A4CYP1A2CYP2D6AOC3ALDH1A1
SCHEMBL2881402 0.75 PPARA (0.49) L3MBTL1ALDH1A1MEN1KMT2ACA12
SCHEMBL1027884 0.75 MEN1 (0.47) CYP1A2L3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4147783 0.75 ESRRG (0.49) L3MBTL1BLMALDH1A1KDM4EMEN1

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-8278440-B2 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2012-10-02 US disclosed
US-20110201805-A1 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2011-08-18 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-20110201805-A1 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid CYP4F2, CYP2F1, CYP2D6 CYP3A4 15/4885CYP1A2 19/4885CYP2D6 3/4885

“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.