SCHEMBL3871435

SCHEMBL3871435

O=C1CCc2ccccc2N1C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.68
OPRM1 P35372 3/20 0.68
OPRK1 P41145 3/20 0.68
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD2 P14416 1/20 0.50
CHRM3 P20309 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL1859464 0.89 OPRL1 (0.86) OPRL1OPRM1OPRK1
SCHEMBL9841118 0.85 OPRM1 (0.61) OPRL1OPRM1OPRK1
SCHEMBL3970762 0.85 OPRL1 (0.64) OPRL1OPRM1OPRK1
SCHEMBL3869853 0.84 OPRM1 (0.59) OPRL1OPRM1OPRK1
SCHEMBL3869636 0.84 OPRM1 (0.56) OPRL1OPRM1OPRK1
SCHEMBL181682 0.81 OPRM1 (1.00) OPRL1OPRM1OPRK1
SCHEMBL1939200 0.81 AKT1 (0.63) OPRL1OPRM1OPRK1DRD2DRD4
SCHEMBL3075361 0.80 OPRL1 (0.66) OPRL1OPRM1OPRK1CHRM2DRD2
SCHEMBL13869097 0.80 OPRL1 (0.73) OPRL1OPRM1OPRK1
SCHEMBL1854812 0.80 OPRL1 (0.57) OPRL1OPRM1OPRK1DRD2DRD4

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-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
EP-1379252-A4 NOCICEPTIN ANALOGS EURO CELTIQUE SA (LU) 2005-11-02 EP claimed
EP-1379252-A2 NOCICEPTIN ANALOGS Euro-Celtique S.A. (LU) 2004-01-14 EP claimed
US-20030013874-A1 Nociceptin analogs PURDUE PHARMA L.P 2003-01-16 US claimed
WO-2002085291-A2 NOCICEPTIN ANALOGS EURO-CELTIQUE, S.A. (LU) 2002-10-31 WO claimed
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
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 (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-20050148580-A1 Nociceptin analogs OPRL1, OPRK1, NPBWR1 OPRL1 1/4885OPRM1 4/4885OPRK1 2/4885
US-20030013874-A1 Nociceptin analogs OPRL1, OPRK1, NPBWR1 OPRL1 1/4885OPRM1 5/4885OPRK1 2/4885
US-20090253727-A1 NOCICEPTIN ANALOGS OPRL1, NPBWR1, OPRK1 OPRL1 1/4885OPRM1 5/4885OPRK1 3/4885

“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.