SCHEMBL6473181

SCHEMBL6473181

Oc1ccc(Br)c2c1CNC(CN1CCC3(CCc4ccccc43)CC1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 1.00
OPRL1 P41146 10/20 1.00
KCNH2 Q12809 6/20 1.00
SIGMAR1 Q99720 10/20 0.49

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
SCHEMBL6471078 0.88 OPRL1 (1.00) OPRM1OPRL1KCNH2SIGMAR1
SCHEMBL6472981 0.88 OPRM1 (0.79) OPRM1OPRL1KCNH2SIGMAR1
SCHEMBL6471689 0.86 OPRM1 (1.00) OPRM1OPRL1KCNH2SIGMAR1
SCHEMBL6500952 0.80 KCNH2 (0.66) OPRM1OPRL1KCNH2
SCHEMBL6500956 0.80 KCNH2 (0.66) OPRM1OPRL1KCNH2
SCHEMBL6471228 0.80 OPRM1 (1.00) OPRM1OPRL1KCNH2SIGMAR1
SCHEMBL6501570 0.80 OPRM1 (1.00) OPRM1OPRL1KCNH2SIGMAR1
SCHEMBL6472418 0.80 OPRL1 (0.66) OPRM1OPRL1KCNH2SIGMAR1
SCHEMBL6472419 0.80 OPRL1 (0.66) OPRM1OPRL1KCNH2SIGMAR1
SCHEMBL6504252 0.78 OPRM1 (0.92) OPRM1OPRL1KCNH2SIGMAR1

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 3 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
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

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 OPRM1 8/4885OPRL1 1/4885KCNH2 378/4885

“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.