SCHEMBL3453852

SCHEMBL3453852

O=C1CCc2ccccc2N1C1CCN(C2CC3CCC2C3)CC1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.62
OPRK1 P41145 7/20 0.62
OPRL1 P41146 7/20 0.62

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
SCHEMBL1857405 0.89 OPRM1 (0.67) OPRM1OPRK1OPRL1
SCHEMBL1857007 0.80 OPRL1 (0.53) OPRM1OPRK1OPRL1
SCHEMBL3873829 0.80 OPRM1 (0.80) OPRM1OPRK1OPRL1
SCHEMBL3873476 0.78 OPRM1 (0.78) OPRM1OPRK1OPRL1
SCHEMBL3872453 0.77 OPRM1 (1.00) OPRM1OPRK1OPRL1
SCHEMBL2675276 0.76 OPRM1 (0.70) OPRM1OPRK1OPRL1
SCHEMBL3876342 0.76 OPRM1 (0.70) OPRM1OPRK1OPRL1
SCHEMBL3870996 0.75 OPRL1 (0.81) OPRM1OPRK1OPRL1
SCHEMBL1867878 0.73 OPRM1 (0.65) OPRM1OPRK1OPRL1
SCHEMBL1866332 0.73 OPRL1 (0.43) OPRM1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253727-A1 NOCICEPTIN ANALOGS PURDUE PHARMA L.P. (US) 2009-10-08 US claimed
EP-1997818-A2 Quinolinone derivatives and their use to treat pain EURO-CELTIQUE S.A. (LU) 2008-12-03 EP claimed
US-20030013874-A1 Nociceptin analogs PURDUE PHARMA L.P 2003-01-16 US claimed
US-7820817-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 US disclosed
US-20100105693-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 US disclosed
US-20090253727-A1 NOCICEPTIN ANALOGS PURDUE PHARMA L.P. (US) 2009-10-08 US disclosed
US-7563809-B2 Nociceptin analogs PURDUE PHARMA, L.P. (US) 2009-07-21 US disclosed
EP-1997818-A2 Quinolinone derivatives and their use to treat pain EURO-CELTIQUE S.A. (LU) 2008-12-03 EP disclosed
EP-1753429-A1 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-02-21 EP disclosed
US-20060019962-A1 substituted piperazine compounds that are useful modulators of muscarinic receptors; 1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-(3-nitro-2-pyridyl)-piperazine; treatment of COPD, asthma, urinary incontinence, glaucoma, Alzheimer's (AchE inhibitors), and pain VERTEX PHARMACEUTICALS INCORPORATED 2006-01-26 US disclosed
WO-2005117883-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-12-15 WO disclosed
US-20050148580-A1 Nociceptin analogs PURDUE PHARMA L.P 2005-07-07 US disclosed
US-6861421-B2 Nociceptin analogs EURO-CELTIQUE S.A (LU) 2005-03-01 US disclosed
US-20030013874-A1 Nociceptin analogs PURDUE PHARMA L.P 2003-01-16 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 (5 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-20050148580-A1 Nociceptin analogs OPRL1, OPRK1, NPBWR1 OPRM1 4/4885OPRK1 2/4885OPRL1 1/4885
US-20100105693-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 OPRM1 90/4885OPRK1 162/4885OPRL1 65/4885
US-20030013874-A1 Nociceptin analogs OPRL1, OPRK1, NPBWR1 OPRM1 5/4885OPRK1 2/4885OPRL1 1/4885
US-20090253727-A1 NOCICEPTIN ANALOGS OPRL1, NPBWR1, OPRK1 OPRM1 5/4885OPRK1 3/4885OPRL1 1/4885
US-20060019962-A1 substituted piperazine compounds that are useful modulators of muscarinic receptors; 1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-(3-nitro-2-pyridyl)-piperazine; treatment of COPD, asthma, urinary incontinence, glaucoma, Alzheimer's (AchE inhibitors), and pain ACHE, CHRM5, CHRM3 OPRM1 62/4885OPRK1 96/4885OPRL1 34/4885

“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.