SCHEMBL4968050

SCHEMBL4968050

NC(=O)c1ccc2c(c1)CCc1cc(CNCCC3CCCC3)ccc1O2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.54
OPRK1 P41145 12/20 0.54
OPRD1 P41143 11/20 0.54
HDAC6 Q9UBN7 2/20 0.40
NAMPT P43490 1/20 0.39
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
RAB9A P51151 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR2C P28335 1/20 0.37
CXCR4 P61073 1/20 0.36
MCHR1 Q99705 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 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
SCHEMBL4965903 0.92 OPRM1 (0.61) OPRM1OPRK1OPRD1NAMPTRAB9A
SCHEMBL5332629 0.89 OPRM1 (0.58) OPRM1OPRK1OPRD1HDAC6NAMPT
SCHEMBL4965887 0.89 OPRM1 (0.58) OPRM1OPRK1OPRD1HDAC6NAMPT
Trifluoroacetic Acid SCHEMBL4964203 0.85 OPRM1 (0.52) OPRM1OPRK1OPRD1HDAC6NAMPT
SCHEMBL4966598 0.85 MCHR1 (0.41) OPRM1OPRK1OPRD1HDAC6NAMPT
SCHEMBL4965826 0.83 OPRM1 (0.57) OPRM1OPRK1OPRD1HDAC6HDAC3
SCHEMBL5668119 0.82 OPRM1 (0.53) OPRM1OPRK1OPRD1NAMPTRAB9A
SCHEMBL4966804 0.81 HDAC1 (0.52) OPRM1OPRK1OPRD1HDAC6HDAC3
SCHEMBL4964378 0.81 HDAC1 (0.52) OPRM1OPRK1OPRD1HDAC6HDAC3
SCHEMBL4964364 0.81 OPRM1 (0.57) OPRM1OPRK1OPRD1RAB9ACYP2C19

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.