SCHEMBL6401307

SCHEMBL6401307

CC1(C)c2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc2CC1CCN

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.59
HTR2A P28223 13/20 0.59
KCNH2 Q12809 13/20 0.59
DRD2 P14416 10/20 0.59
HTR7 P34969 1/20 0.57

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
SCHEMBL6397695 0.94 HTR1A (0.54) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL6401306 0.94 HTR1A (0.59) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL6399873 0.89 HTR1A (0.54) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL5777922 0.84 HTR1A (0.41) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL6399699 0.84 HTR1A (0.61) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL6400727 0.84 HTR1A (0.65) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL6397700 0.83 HTR1A (0.52) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL6402177 0.83 HTR1A (0.57) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL6400489 0.82 HTR1A (0.63) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL6399037 0.81 HTR1A (0.68) HTR1AHTR2AKCNH2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US disclosed
US-20050282819-A1 Heterocyclic substituted indane derivatives and related compounds for the treatment of schizophrenia GRAHAM JAMES M 2005-12-22 US disclosed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US disclosed
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 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 (3 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-20050282819-A1 Heterocyclic substituted indane derivatives and related compounds for the treatment of schizophrenia CHRM1, CHRM2, CHRM5 HTR1A 61/4885HTR2A 195/4885KCNH2 114/4885
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides CD22, CD2, NEU3 HTR1A 924/4885HTR2A 938/4885KCNH2 994/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 HTR1A 525/4885HTR2A 1014/4885KCNH2 1199/4885

“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.