SCHEMBL6501857

SCHEMBL6501857

CN1C(=O)C2(CCN(CC3Cc4c(F)ccc(O)c4CN3)CC2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 19/20 0.52
OPRM1 P35372 12/20 0.52
OPRK1 P41145 8/20 0.52
KCNH2 Q12809 4/20 0.49
OPRD1 P41143 3/20 0.42

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
SCHEMBL6471157 0.89 OPRL1 (0.62) OPRL1OPRM1OPRK1KCNH2OPRD1
SCHEMBL6472721 0.85 OPRL1 (0.63) OPRL1OPRM1OPRK1KCNH2OPRD1
SCHEMBL6471905 0.83 OPRL1 (0.55) OPRL1OPRM1KCNH2
SCHEMBL6471908 0.83 OPRL1 (0.55) OPRL1OPRM1KCNH2
SCHEMBL6472714 0.81 OPRL1 (0.57) OPRL1OPRM1OPRK1KCNH2OPRD1
SCHEMBL6472981 0.77 OPRM1 (0.79) OPRL1OPRM1KCNH2
SCHEMBL6471648 0.74 OPRL1 (0.48) OPRL1OPRM1OPRK1KCNH2
SCHEMBL6471651 0.74 OPRL1 (0.48) OPRL1OPRM1OPRK1KCNH2
SCHEMBL6504054 0.72 OPRL1 (0.70) OPRL1OPRM1KCNH2
SCHEMBL6501770 0.72 OPRL1 (0.70) OPRL1OPRM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds ITO FUMITAKA (JP) 2005-07-14 US claimed
US-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds ITO FUMITAKA (JP) 2005-07-14 US disclosed
EP-1517895-A1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-03-30 EP disclosed
WO-2005016913-A1 TETRAHYDROISOQUINOLINE OR ISOCHROMAN COMPOUNDS AS ORL-1 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AND CNS DISORDERS PFIZER JAPAN, INC. (JP) 2005-02-24 WO disclosed
WO-2004000814-A1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-12-31 WO 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 (1 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-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds OPRL1, NR1H3, HRH3 OPRL1 1/4885OPRM1 8/4885OPRK1 10/4885

“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.