SCHEMBL4965338

SCHEMBL4965338

CC(C)CCNCc1ccc2c(c1)CCc1c(ccc(C(N)=O)c1OS(C)(=O)=O)O2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
CA2 P00918 1/20 0.34
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
HDAC1 Q13547 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
SLC8A1 P32418 1/20 0.30

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
SCHEMBL4965333 0.81 OPRM1 (0.54) OPRM1OPRD1OPRK1CA2HDAC1
SCHEMBL4964601 0.78 OPRM1 (0.57) OPRM1OPRD1OPRK1CA2HDAC1
SCHEMBL4965646 0.78 OPRM1 (0.41) OPRM1OPRD1OPRK1CA2HDAC1
Hydrochloric Acid SCHEMBL4968080 0.77 OPRM1 (0.56) OPRM1OPRD1OPRK1CA2HDAC1
Hydrochloric Acid SCHEMBL4965277 0.77 OPRM1 (0.41) OPRM1OPRD1OPRK1CA2HDAC1
SCHEMBL4966800 0.73 OPRM1 (0.51) OPRM1OPRD1OPRK1AURKARPS6KB1
SCHEMBL4966629 0.72 SLC2A1 (0.37) OPRM1OPRD1OPRK1AURKARPS6KB1
SCHEMBL4967356 0.71 KCNH2 (0.34)
SCHEMBL4964149 0.71 OPRM1 (0.47) OPRM1OPRD1OPRK1CA2AURKA
SCHEMBL4963721 0.71 SLC8A1 (0.39) OPRM1OPRD1OPRK1CA2AURKA

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 4 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
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

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.