SCHEMBL4964153

SCHEMBL4964153

CC(C)CNCc1ccc2c(c1)CCc1cc(C(N)=O)ccc1O2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.56
OPRK1 P41145 7/20 0.56
OPRD1 P41143 6/20 0.45
RAB9A P51151 1/20 0.42
HDAC1 Q13547 4/20 0.41
CA2 P00918 3/20 0.41
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
PDE5A O76074 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC11 Q96DB2 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
SCHEMBL4964601 0.89 OPRM1 (0.57) OPRM1OPRK1OPRD1RAB9AHDAC1
Hydrochloric Acid SCHEMBL4968080 0.88 OPRM1 (0.56) OPRM1OPRK1OPRD1RAB9AHDAC1
SCHEMBL4966800 0.87 OPRM1 (0.51) OPRM1OPRK1OPRD1RAB9AHDAC1
SCHEMBL4965333 0.85 OPRM1 (0.54) OPRM1OPRK1OPRD1RAB9AHDAC1
SCHEMBL4971525 0.83 OPRM1 (0.40) OPRM1OPRK1RAB9AHDAC1CA2
SCHEMBL4965826 0.82 OPRM1 (0.57) OPRM1OPRK1OPRD1RAB9AHDAC1
SCHEMBL4964364 0.82 OPRM1 (0.57) OPRM1OPRK1OPRD1RAB9ACA2
SCHEMBL4966186 0.81 OPRM1 (0.56) OPRM1OPRK1OPRD1RAB9ACYP2C19
SCHEMBL4968057 0.80 OPRM1 (0.44) OPRM1OPRK1OPRD1RAB9AHDAC1
SCHEMBL4963180 0.80 OPRM1 (0.42) OPRM1OPRK1OPRD1RAB9APDE5A

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.