SCHEMBL4964650

SCHEMBL4964650

NC(=O)c1ccc(Oc2ccc(CNCCc3ccc(F)cc3)cc2Cl)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HDAC1 Q13547 2/20 0.42
KMT2A Q03164 3/20 0.41
HTT P42858 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
LTA4H P09960 1/20 0.39
EPHX2 P34913 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL4963849 0.90 ALDH1A1 (0.44) CYP2D6CYP2C19CYP1A2CYP2C9CYP3A4
SCHEMBL4964762 0.87 KMT2A (0.52) CYP2D6CYP2C19CYP2C9CYP3A4ALDH1A1
SCHEMBL4963716 0.83 LTA4H (0.55) ALDH1A1KDM4EHDAC1KMT2ACA12
SCHEMBL4965187 0.83 MAPT (0.38) CYP2D6CYP2C19CYP2C9CYP3A4ALDH1A1
SCHEMBL4964032 0.83 OPRM1 (0.37) CYP2D6CYP2C19CYP2C9CYP3A4KDM4E
SCHEMBL14114826 0.75 OPRM1 (0.48) CYP2D6CYP2C19CYP2C9CYP3A4ALDH1A1
SCHEMBL4964748 0.75 CARM1 (0.43) ALDH1A1KDM4EHDAC1KMT2ACA2
SCHEMBL4964751 0.75 CARM1 (0.41) HDAC1KMT2AOPRM1OPRD1OPRK1
SCHEMBL14132128 0.73 OPRM1 (0.67) ALDH1A1KDM4EKMT2ACA12CA1
SCHEMBL9958382 0.71 CYP1A2 (0.64) CYP2D6CYP2C19CYP1A2CYP2C9CYP3A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606275-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-27 EP claimed
US-20060166987-A1 Opioid receptor antagonists ELI LILLY AND COMPANY 2006-07-27 US claimed
EP-1606275-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-12-21 EP claimed
WO-2004080996-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-09-23 WO claimed
EP-1606275-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-27 EP disclosed
US-7396943-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
US-20060166987-A1 Opioid receptor antagonists ELI LILLY AND COMPANY 2006-07-27 US disclosed
EP-1606275-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-12-21 EP disclosed
WO-2004080996-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-09-23 WO 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-20060166987-A1 Opioid receptor antagonists OPRM1, OPRD1, OPRK1 CYP2D6 285/4885CYP2C19 562/4885CYP1A2 533/4885

“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.