SCHEMBL2604459

SCHEMBL2604459

CCn1c(=O)n([C@H]2CC[C@H](N)CC2)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.61
OPRM1 P35372 6/20 0.61
OPRK1 P41145 3/20 0.61
OPRD1 P41143 2/20 0.52
C5AR1 P21730 3/20 0.47
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HTR3A P46098 1/20 0.46
HTR4 Q13639 1/20 0.46
CACNA1G O43497 1/20 0.45
CACNA1H O95180 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
HPD P32754 1/20 0.45

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
SCHEMBL2604460 0.85 OPRL1 (0.61) OPRL1OPRM1OPRK1OPRD1C5AR1
SCHEMBL1858426 0.84 OPRL1 (0.60) OPRL1OPRM1OPRK1OPRD1C5AR1
SCHEMBL8060424 0.84 OPRL1 (0.60) OPRL1OPRM1OPRK1OPRD1C5AR1
SCHEMBL1863057 0.79 OPRL1 (0.61) OPRL1OPRM1OPRK1OPRD1TMEM97
SCHEMBL1861485 0.79 OPRL1 (0.52) OPRL1OPRM1OPRK1OPRD1C5AR1
SCHEMBL2604457 0.79 OPRL1 (0.52) OPRL1OPRM1OPRK1OPRD1C5AR1
SCHEMBL2604458 0.78 OPRL1 (0.54) OPRL1OPRM1OPRK1OPRD1C5AR1
SCHEMBL25407563 0.78 ALDH1A1 (0.65) OPRL1OPRM1OPRK1OPRD1SLC6A4
SCHEMBL1861042 0.77 OPRL1 (0.65) OPRL1OPRM1OPRK1OPRD1TMEM97
SCHEMBL20845727 0.76 OPRL1 (0.52) OPRL1OPRM1OPRK1OPRD1C5AR1

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
US-8252815-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2012-08-28 US disclosed
US-8252815-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2012-08-28 US disclosed
US-20120095049-A1 NOCICEPTIN ANALOGS PURDUE PHARMA L.P. (US) 2012-04-19 US disclosed
US-20120095049-A1 NOCICEPTIN ANALOGS PURDUE PHARMA L.P. (US) 2012-04-19 US disclosed
US-7939670-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2011-05-10 US disclosed
US-7939670-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2011-05-10 US disclosed
US-20090156640-A1 NOCICEPTIN ANALOGS EURO-CELTIQUE S.A. 2009-06-18 US disclosed
US-20090156640-A1 NOCICEPTIN ANALOGS EURO-CELTIQUE S.A. 2009-06-18 US disclosed
US-7495109-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2009-02-24 US disclosed
US-7495109-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2009-02-24 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-20090156640-A1 NOCICEPTIN ANALOGS OPRL1, NPY1R, NPBWR1 OPRL1 1/4885OPRM1 8/4885OPRK1 5/4885
US-20120095049-A1 NOCICEPTIN ANALOGS OPRL1, NPY1R, NPBWR1 OPRL1 1/4885OPRM1 8/4885OPRK1 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.