SCHEMBL4968057

SCHEMBL4968057

COCCCNCc1ccc2c(c1)CCc1cc(C(N)=O)ccc1O2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.44
OPRK1 P41145 7/20 0.44
OPRD1 P41143 6/20 0.44
MCHR1 Q99705 1/20 0.44
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TBK1 Q9UHD2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CHEK1 O14757 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL4966870 0.90 KDM4E (0.46) OPRM1OPRK1OPRD1HPGDRAB9A
SCHEMBL4964364 0.87 OPRM1 (0.57) OPRM1OPRK1OPRD1RAB9A
SCHEMBL4966186 0.86 OPRM1 (0.56) OPRM1OPRK1OPRD1RAB9ALMNA
SCHEMBL4965138 0.85 MCHR1 (0.43) MCHR1HPGDRAB9AALDH1A1LMNA
SCHEMBL4966800 0.85 OPRM1 (0.51) OPRM1OPRK1OPRD1RAB9APOLB
SCHEMBL4968096 0.83 OPRM1 (0.49) OPRM1OPRK1OPRD1RAB9AHDAC6
SCHEMBL4965826 0.83 OPRM1 (0.57) OPRM1OPRK1OPRD1RAB9AHDAC6
SCHEMBL4964601 0.83 OPRM1 (0.57) OPRM1OPRK1OPRD1RAB9APOLB
Hydrochloric Acid SCHEMBL4968080 0.82 OPRM1 (0.56) OPRM1OPRK1OPRD1RAB9APOLB
SCHEMBL4963180 0.81 OPRM1 (0.42) OPRM1OPRK1OPRD1RAB9AALDH1A1

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 2/4885OPRK1 1/4885OPRD1 5/4885

“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.