SCHEMBL4919683

SCHEMBL4919683

CCCn1c(=O)n(C2CCN(CC3CCCCCCC3)CC2CO)c2ccccc21

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 16/20 0.85
OPRM1 P35372 9/20 0.85
OPRK1 P41145 4/20 0.85
USP19 O94966 1/20 0.39

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
J-113,397 SCHEMBL875219 0.92 OPRL1 (1.00) OPRL1OPRM1OPRK1
J-113,397 SCHEMBL29623055 0.92 OPRL1 (1.00) OPRL1OPRM1OPRK1
J-113,397 SCHEMBL12918433 0.92 OPRL1 (1.00) OPRL1OPRM1OPRK1
J-113,397 SCHEMBL1946862 0.92 OPRL1 (1.00) OPRL1OPRM1OPRK1
J-113,397 SCHEMBL29623041 0.92 OPRL1 (1.00) OPRL1OPRM1OPRK1
J-113,397 SCHEMBL6586337 0.92 OPRL1 (1.00) OPRL1OPRM1OPRK1
J-113,397 SCHEMBL4920647 0.92 OPRL1 (1.00) OPRL1OPRM1OPRK1
J-113,397 SCHEMBL4920476 0.91 OPRL1 (0.98) OPRL1OPRM1OPRK1
J-113,397 SCHEMBL4920487 0.91 OPRL1 (0.98) OPRL1OPRM1OPRK1
J-113,397 SCHEMBL16752513 0.91 OPRL1 (0.98) OPRL1OPRM1OPRK1

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.