SCHEMBL4965081

SCHEMBL4965081

CC(C)CCN(Cc1ccc2c(c1)CCc1cc(C(N)=O)ccc1O2)CC1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 9/20 0.36
▸ OPRD1 P41143 8/20 0.36
▸ OPRK1 P41145 3/20 0.36
▸ MAPK14 Q16539 2/20 0.35
▸ RORC P51449 2/20 0.34
▸ CXCR3 P49682 4/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ DRD3 P35462 1/20 0.33

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
SCHEMBL4966117 0.95 MAPK14 (0.36) OPRM1OPRD1OPRK1MAPK14CXCR3
SCHEMBL4965290 0.87 TRPM8 (0.39) MAPK14CXCR3HDAC1HDAC6DRD3
SCHEMBL4968447 0.87 BCHE (0.35) RORCCXCR3
SCHEMBL14369641 0.82 OPRM1 (0.39) OPRM1OPRD1OPRK1DRD3
SCHEMBL4965899 0.82 CXCR3 (0.33) RORCCXCR3DRD3
SCHEMBL14398822 0.78 CXCR3 (0.32) RORCCXCR3
SCHEMBL5332624 0.78 HRH3 (0.44) OPRM1OPRD1OPRK1DRD3
SCHEMBL4965877 0.78 HRH3 (0.44) OPRM1OPRD1OPRK1DRD3
Trifluoroacetic Acid SCHEMBL4967345 0.77 TRPM8 (0.37) OPRM1OPRD1OPRK1
SCHEMBL5332629 0.74 OPRM1 (0.58) OPRM1OPRD1OPRK1HDAC1HDAC6

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 7 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
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-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
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.

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