SCHEMBL4917602

SCHEMBL4917602

CCC1(CN2CCC(n3c(=O)n(CC4CC4)c4ccccc43)CC2)CCCCCCC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 16/20 0.62
OPRM1 P35372 12/20 0.62
OPRK1 P41145 4/20 0.62
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
C5AR1 P21730 1/20 0.42
ENPP2 Q13822 1/20 0.41

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
SCHEMBL4920073 0.90 OPRL1 (0.65) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL4913067 0.87 OPRL1 (0.53) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL4913219 0.87 OPRL1 (0.53) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL4918957 0.86 OPRL1 (0.52) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL8128346 0.78 OPRM1 (0.49) OPRL1OPRM1OPRK1
SCHEMBL4916510 0.78 OPRL1 (0.53) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL4919034 0.77 OPRL1 (1.00) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL4919083 0.77 OPRM1 (0.62) OPRL1OPRM1OPRK1
SCHEMBL24405966 0.75 OPRL1 (0.68) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL4921298 0.75 OPRL1 (0.83) OPRL1OPRM1OPRK1CACNA1GCACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103163-A1 Antipruritics OYAMA TATSUYA 2008-05-01 US disclosed
US-20080103162-A1 Antipruritics OYAMA TATSUYA 2008-05-01 US disclosed
EP-0990653-B1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-15 EP disclosed
US-20040116450-A1 Antipruritics NIPPON SHINYAKU CO., LTD. (JP) 2004-06-17 US disclosed
EP-1371376-A1 ANTIPRURITICS Nippon Shinyaku Co., Ltd. (JP) 2003-12-17 EP disclosed
US-6258825-B1 ANALGESIC, A RELIEVER AGAINST TOLERANCE TO A NARCOTIC ANALGESIC REPRESENTED BY MORPHINE, REMEDY FOR PARKINSONISM, A REMEDY FOR CHOREA, AN ANTIDEPRESSANT, A REMEDY FOR DIABETES INSIPIDUS, A REMEDY FOR POLYURIA, OR HYPOTENSION BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-07-10 US disclosed
EP-0990653-A1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-04-05 EP 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-20080103162-A1 Antipruritics ITCH, NTSR1, OPRL1 OPRL1 3/4885OPRM1 158/4885OPRK1 37/4885
US-20080103163-A1 Antipruritics ITCH, OPRL1, NTSR1 OPRL1 2/4885OPRM1 135/4885OPRK1 25/4885

“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.