SCHEMBL6504782

SCHEMBL6504782

CC1(C)OC2(CCN(CC3Cc4cccc(O)c4CN3)CC2)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.67
OPRM1 P35372 6/20 0.67
KCNH2 Q12809 6/20 0.67
AVPR1A P37288 2/20 0.38
SIGMAR1 Q99720 5/20 0.35
ADRA2A P08913 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL6504786 1.00 OPRL1 (0.67) OPRL1OPRM1KCNH2AVPR1ASIGMAR1
SCHEMBL6472419 0.84 OPRL1 (0.66) OPRL1OPRM1KCNH2AVPR1ASIGMAR1
SCHEMBL6472418 0.84 OPRL1 (0.66) OPRL1OPRM1KCNH2AVPR1ASIGMAR1
SCHEMBL6471689 0.81 OPRM1 (1.00) OPRL1OPRM1KCNH2SIGMAR1
SCHEMBL6472721 0.77 OPRL1 (0.63) OPRL1OPRM1KCNH2
SCHEMBL6502587 0.77 OPRL1 (0.58) OPRL1OPRM1KCNH2SIGMAR1
SCHEMBL6502586 0.77 OPRL1 (0.58) OPRL1OPRM1KCNH2SIGMAR1
SCHEMBL6504432 0.74 KCNH2 (0.67) OPRL1OPRM1KCNH2
SCHEMBL6506705 0.74 KCNH2 (0.67) OPRL1OPRM1KCNH2
SCHEMBL6502926 0.72 OPRL1 (0.70) OPRL1OPRM1KCNH2AVPR1ASIGMAR1

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
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 claimed
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 OPRL1 1/4885OPRM1 8/4885KCNH2 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.