SCHEMBL6500952

SCHEMBL6500952

CN1CC2(CCN(CC3Cc4c(Br)ccc(O)c4CN3)CC2)c2cccnc21

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 18/20 0.66
OPRL1 P41146 6/20 0.66
OPRM1 P35372 5/20 0.66
CHRM4 P08173 3/20 0.37
CHRM1 P11229 2/20 0.37

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
SCHEMBL6500956 1.00 KCNH2 (0.66) KCNH2OPRL1OPRM1CHRM4CHRM1
SCHEMBL6504432 0.86 KCNH2 (0.67) KCNH2OPRL1OPRM1CHRM4CHRM1
SCHEMBL6506705 0.86 KCNH2 (0.67) KCNH2OPRL1OPRM1CHRM4CHRM1
SCHEMBL6473181 0.80 OPRM1 (1.00) KCNH2OPRL1OPRM1
SCHEMBL6473906 0.76 OPRL1 (0.53) KCNH2OPRL1OPRM1
SCHEMBL6472419 0.75 OPRL1 (0.66) KCNH2OPRL1OPRM1
SCHEMBL6472418 0.75 OPRL1 (0.66) KCNH2OPRL1OPRM1
SCHEMBL6504054 0.75 OPRL1 (0.70) KCNH2OPRL1OPRM1
SCHEMBL6471905 0.75 OPRL1 (0.55) KCNH2OPRL1OPRM1
SCHEMBL6501770 0.75 OPRL1 (0.70) KCNH2OPRL1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds ITO FUMITAKA (JP) 2005-07-14 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 (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 KCNH2 378/4885OPRL1 1/4885OPRM1 8/4885

“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.