SCHEMBL6469083

SCHEMBL6469083

CN1CC2(CCN(CC3Cc4c(Cl)cccc4CN3)CC2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.55
OPRL1 P41146 8/20 0.55
KCNH2 Q12809 7/20 0.55
SLC18A3 Q16572 7/20 0.45
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SIGMAR1 Q99720 5/20 0.41
CYP2D6 P10635 1/20 0.36
CXCR4 P61073 1/20 0.36
HTR1A P08908 2/20 0.35
ADRA1B P35368 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 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
SCHEMBL6501770 0.85 OPRL1 (0.70) OPRM1OPRL1KCNH2SLC18A3HDAC1
SCHEMBL6504054 0.85 OPRL1 (0.70) OPRM1OPRL1KCNH2SLC18A3HDAC1
SCHEMBL6471905 0.77 OPRL1 (0.55) OPRM1OPRL1KCNH2SLC18A3HDAC1
SCHEMBL6471908 0.77 OPRL1 (0.55) OPRM1OPRL1KCNH2SLC18A3HDAC1
SCHEMBL6501015 0.72 OPRL1 (0.59) OPRM1OPRL1KCNH2SLC18A3HDAC1
SCHEMBL6501020 0.72 OPRL1 (0.59) OPRM1OPRL1KCNH2SLC18A3HDAC1
SCHEMBL6506055 0.71 OPRL1 (0.61) OPRM1OPRL1KCNH2SLC18A3SIGMAR1
SCHEMBL6506056 0.71 OPRL1 (0.61) OPRM1OPRL1KCNH2SLC18A3SIGMAR1
SCHEMBL6471078 0.71 OPRL1 (1.00) OPRM1OPRL1KCNH2SIGMAR1CYP2D6
SCHEMBL6469082 0.71 KCNH2 (0.36) OPRM1OPRL1KCNH2SIGMAR1CYP2D6

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.