SCHEMBL4966186

SCHEMBL4966186

CCCCCCNCc1ccc2c(c1)CCc1cc(C(N)=O)ccc1O2

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.56
OPRD1 P41143 4/20 0.56
OPRK1 P41145 4/20 0.56
SPHK1 Q9NYA1 3/20 0.42
SPHK2 Q9NRA0 2/20 0.42
S1PR1 P21453 4/20 0.41
S1PR3 Q99500 4/20 0.41
S1PR2 O95136 3/20 0.41
LPAR2 Q9HBW0 2/20 0.41
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 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
SCHEMBL4964364 0.99 OPRM1 (0.57) OPRM1OPRD1OPRK1SPHK1SPHK2
SCHEMBL4966870 0.86 KDM4E (0.46) OPRM1OPRD1OPRK1RAB9ALMNA
SCHEMBL4968057 0.86 OPRM1 (0.44) OPRM1OPRD1OPRK1RAB9ALMNA
SCHEMBL4966800 0.86 OPRM1 (0.51) OPRM1OPRD1OPRK1RAB9A
SCHEMBL4963457 0.84 SLC2A1 (0.42) OPRM1OPRD1OPRK1S1PR1S1PR3
SCHEMBL4963180 0.84 OPRM1 (0.42) OPRM1OPRD1OPRK1RAB9ALMNA
SCHEMBL4968096 0.84 OPRM1 (0.49) OPRM1OPRD1OPRK1RAB9A
SCHEMBL4965826 0.83 OPRM1 (0.57) OPRM1OPRD1OPRK1RAB9ACYP2C19
SCHEMBL4964601 0.83 OPRM1 (0.57) OPRM1OPRD1OPRK1RAB9A
SCHEMBL4965638 0.83 OPRM1 (0.41) OPRM1OPRD1OPRK1S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730140-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-06-25 EP claimed
US-7288543-B2 For therapy or prophylaxis of obesity and related diseases including eating disorders (bulimia, anorexia nervosa, etc.), diabetes, diabetic complications, diabetic retinopathy, sexual/reproductive disorders, depression, anxiety, epileptic seizure, hypertension, cerebral hemorrhage ELI LILLY AND COMPANY (US) 2007-10-30 US claimed
US-20070179129-A1 Opioid receptor antagonists ELI LILLY AND COMPANY 2007-08-02 US claimed
EP-1730140-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-12-13 EP claimed
WO-2005090337-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-09-29 WO claimed
EP-1730140-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-06-25 EP disclosed
US-7288543-B2 For therapy or prophylaxis of obesity and related diseases including eating disorders (bulimia, anorexia nervosa, etc.), diabetes, diabetic complications, diabetic retinopathy, sexual/reproductive disorders, depression, anxiety, epileptic seizure, hypertension, cerebral hemorrhage ELI LILLY AND COMPANY (US) 2007-10-30 US disclosed
US-20070179129-A1 Opioid receptor antagonists ELI LILLY AND COMPANY 2007-08-02 US disclosed
EP-1730140-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-12-13 EP disclosed
WO-2005090337-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-09-29 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-20070179129-A1 Opioid receptor antagonists OPRK1, OPRM1, OPRL1 OPRM1 2/4885OPRD1 5/4885OPRK1 1/4885

“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.