SCHEMBL2240983

SCHEMBL2240983

Nc1ccccc1NC1CCN(C2Cc3cccc4cccc2c34)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 19/20 0.48
OPRM1 P35372 18/20 0.48
OPRK1 P41145 14/20 0.48
OPRD1 P41143 5/20 0.48
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 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
SCHEMBL2247469 1.00 OPRL1 (0.48) OPRL1OPRM1OPRK1OPRD1KDM4E
SCHEMBL3582920 0.83 KDM4E (0.41) OPRL1OPRM1OPRK1OPRD1KDM4E
SCHEMBL3582923 0.83 KDM4E (0.41) OPRL1OPRM1OPRK1OPRD1KDM4E
SCHEMBL3582606 0.81 CHRNA7 (0.52) OPRL1OPRM1OPRK1OPRD1KDM4E
SCHEMBL3582603 0.81 CHRNA7 (0.52) OPRL1OPRM1OPRK1OPRD1KDM4E
SCHEMBL12931778 0.78 OPRL1 (0.46) OPRL1OPRM1OPRK1OPRD1
SCHEMBL9984580 0.77 OPRL1 (0.56) OPRL1OPRM1OPRK1OPRD1
SCHEMBL13177689 0.76 OPRL1 (0.54) OPRL1OPRM1OPRK1OPRD1
SCHEMBL3587101 0.74 KDM4E (0.47) OPRL1OPRM1OPRK1OPRD1KDM4E
SCHEMBL3587098 0.74 KDM4E (0.47) OPRL1OPRM1OPRK1OPRD1KDM4E

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-2280008-B1 HETEROCYCLIC-SUBSTITUTED PIPERIDINES AS ORL-1 LIGANDS PURDUE PHARMA LP (US) 2013-05-29 EP disclosed
EP-1491212-B1 REMEDY FOR SLEEP DISTURBANCE MITSUBISHI TANABE PHARMA CORP (JP) 2012-08-08 EP disclosed
EP-2394997-A1 PROCESS FOR PREPARING 1-(4-PIPERIDINYL)BENZIMIDAZOLONE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2011-12-14 EP disclosed
US-8003669-B2 Remedy for sleep disturbance MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-23 US disclosed
US-8003669-B2 Remedy for sleep disturbance MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-23 US disclosed
US-20090253747-A1 Remedy for sleep disturbance TESHIMA KOJI 2009-10-08 US disclosed
US-20090253747-A1 Remedy for sleep disturbance TESHIMA KOJI 2009-10-08 US disclosed
US-7566728-B2 Advance circadian rhythm disorders; using opioid receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-28 US disclosed
US-7566728-B2 Advance circadian rhythm disorders; using opioid receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-28 US 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 (2 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-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.