SCHEMBL4915166

SCHEMBL4915166

CNCCn1c(=O)n(C2CCN(CC3CCCCCCC3)CC2)c2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 16/20 0.74
OPRM1 P35372 11/20 0.74
OPRK1 P41145 4/20 0.74
CACNA1G O43497 1/20 0.50
CACNA1H O95180 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A2 P23975 2/20 0.47

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
SCHEMBL4921298 0.88 OPRL1 (0.83) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL4940191 0.88 OPRL1 (0.69) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL6586004 0.85 OPRL1 (0.66) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL4913804 0.85 OPRL1 (0.66) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL4918244 0.85 OPRL1 (0.75) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL4917717 0.85 OPRL1 (0.75) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL4919034 0.85 OPRL1 (1.00) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL6586617 0.85 OPRL1 (0.65) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL4920053 0.85 OPRL1 (0.74) OPRL1OPRM1OPRK1CACNA1GCACNA1H
Hydrochloric Acid SCHEMBL4917688 0.84 OPRL1 (0.72) 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.