SCHEMBL2238940

SCHEMBL2238940

O=C(O)Cn1c(=O)n(C2CCN([C@@H]3Cc4cccc5cccc3c45)CC2)c2ccccc21

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 19/20 0.79
OPRM1 P35372 16/20 0.79
OPRK1 P41145 5/20 0.71
OPRD1 P41143 5/20 0.71
OGFRL1 Q5TC84 1/20 0.47
KCNH2 Q12809 1/20 0.46

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
SCHEMBL2238943 1.00 OPRL1 (0.79) OPRL1OPRM1OPRK1OPRD1OGFRL1
SCHEMBL2242983 0.91 OPRL1 (0.85) OPRL1OPRM1OPRK1OPRD1OGFRL1
SCHEMBL2242979 0.91 OPRL1 (0.85) OPRL1OPRM1OPRK1OPRD1OGFRL1
SCHEMBL2242815 0.89 OPRL1 (0.77) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL1711157 0.89 OPRL1 (1.00) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL25736629 0.89 OPRL1 (1.00) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL1711153 0.89 OPRL1 (1.00) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL2242811 0.89 OPRL1 (0.77) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL29408438 0.89 OPRL1 (1.00) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL3585205 0.87 OPRL1 (0.62) OPRL1OPRM1OPRK1OPRD1OGFRL1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069382-A1 Agent for prophylaxis or treatment of alcohol dependence or drug dependence MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 US claimed
EP-2089030-A2 AGENT FOR PROPHYLAXIS OR TREATMENT OF ALCOHOL DEPENDENCE OR DRUG DEPENDENCE Mitsubishi Tanabe Pharma Corporation (JP) 2009-08-19 EP claimed
WO-2008050698-A2 AGENT FOR PROPHYLAXIS OR TREATMENT OF ALCOHOL DEPENDENCE OR DRUG DEPENDENCE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-05-02 WO claimed
EP-1491212-B1 REMEDY FOR SLEEP DISTURBANCE MITSUBISHI TANABE PHARMA CORP (JP) 2012-08-08 EP disclosed
US-8207201-B2 Agent for prophylaxis or treatment of alcohol dependence or drug dependence MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-26 US disclosed
US-8003669-B2 Remedy for sleep disturbance MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-23 US disclosed
US-20100069382-A1 Agent for prophylaxis or treatment of alcohol dependence or drug dependence MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 US disclosed
US-20090253747-A1 Remedy for sleep disturbance TESHIMA KOJI 2009-10-08 US disclosed
EP-2089030-A2 AGENT FOR PROPHYLAXIS OR TREATMENT OF ALCOHOL DEPENDENCE OR DRUG DEPENDENCE Mitsubishi Tanabe Pharma Corporation (JP) 2009-08-19 EP disclosed
US-7566728-B2 Advance circadian rhythm disorders; using opioid receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-28 US disclosed
WO-2008050698-A2 AGENT FOR PROPHYLAXIS OR TREATMENT OF ALCOHOL DEPENDENCE OR DRUG DEPENDENCE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-05-02 WO disclosed
US-20050119308-A1 Remedy for sleep disturbance MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-06-02 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 (3 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-20100069382-A1 Agent for prophylaxis or treatment of alcohol dependence or drug dependence ADH1A, ADH1C, ADH5 OPRL1 292/4885OPRM1 13/4885OPRK1 24/4885
US-20050119308-A1 Remedy for sleep disturbance PER2, HCRTR1, HCRTR2 OPRL1 10/4885OPRM1 115/4885OPRK1 63/4885
US-20090253747-A1 Remedy for sleep disturbance PER2, HCRTR1, HCRTR2 OPRL1 10/4885OPRM1 115/4885OPRK1 63/4885

“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.