SCHEMBL6471908

SCHEMBL6471908

CN1CC2(CCN(CC3Cc4c(F)ccc(O)c4CN3)CC2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.55
OPRM1 P35372 9/20 0.55
KCNH2 Q12809 6/20 0.55
SLC18A3 Q16572 7/20 0.44
SIGMAR1 Q99720 6/20 0.44
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
FFAR1 O14842 1/20 0.32

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
SCHEMBL6471905 1.00 OPRL1 (0.55) OPRL1OPRM1KCNH2SLC18A3SIGMAR1
SCHEMBL6471651 0.89 OPRL1 (0.48) OPRL1OPRM1KCNH2SLC18A3SIGMAR1
SCHEMBL6471648 0.89 OPRL1 (0.48) OPRL1OPRM1KCNH2SLC18A3SIGMAR1
SCHEMBL6504054 0.89 OPRL1 (0.70) OPRL1OPRM1KCNH2SLC18A3SIGMAR1
SCHEMBL6501770 0.89 OPRL1 (0.70) OPRL1OPRM1KCNH2SLC18A3SIGMAR1
SCHEMBL6472981 0.83 OPRM1 (0.79) OPRL1OPRM1KCNH2SIGMAR1
SCHEMBL6501857 0.83 OPRL1 (0.52) OPRL1OPRM1KCNH2
SCHEMBL6501020 0.80 OPRL1 (0.59) OPRL1OPRM1KCNH2SLC18A3SIGMAR1
SCHEMBL6501015 0.80 OPRL1 (0.59) OPRL1OPRM1KCNH2SLC18A3SIGMAR1
SCHEMBL6506055 0.77 OPRL1 (0.61) OPRL1OPRM1KCNH2SLC18A3SIGMAR1

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-20050192339-A1 Compounds BIOVITRUM AB (SE) 2005-09-01 US disclosed
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 (2 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
US-20050192339-A1 Compounds MCHR1, HCRTR1, NPY1R OPRL1 22/4885OPRM1 38/4885KCNH2 1543/4885

“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.