SCHEMBL4958797

SCHEMBL4958797

Clc1c2c(nc3ccnn13)COC2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
HTR2C P28335 13/20 0.37
HTR2B P41595 12/20 0.37
HTR2A P28223 11/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
KCNN3 Q9UGI6 3/20 0.33
KCNN1 Q92952 1/20 0.33
KCNN2 Q9H2S1 1/20 0.33
DYRK1A Q13627 1/20 0.32
CHEK1 O14757 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31

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
SCHEMBL4956864 0.80 HTR2C (0.46) PDE10AHTR2CHTR2BHTR2A
SCHEMBL4958921 0.80 HTR2C (0.37) PDE10AHTR2CHTR2BHTR2ACCNT1
SCHEMBL4955234 0.77 HTR2C (0.46) PDE10AHTR2CHTR2BHTR2A
SCHEMBL4955735 0.75 HTR2C (0.47) PDE10AHTR2CHTR2BHTR2A
SCHEMBL2574952 0.73 HTR2C (0.63) PDE10AHTR2CHTR2BHTR2A
SCHEMBL14282916 0.73 CCNE1 (0.37) HTR2CHTR2BHTR2ACCNT1CDK9
SCHEMBL9947789 0.72 HTR2C (0.65) PDE10AHTR2CHTR2BHTR2ACCNT1
SCHEMBL4958235 0.69 CYP1A2 (0.39) HTR2CHTR2BHTR2A
SCHEMBL16534726 0.65 PDE10A (0.40) PDE10ACCNT1CDK9KCNN3CHEK1
SCHEMBL7830112 0.65 PDE10A (0.47) PDE10AHTR2CKCNN3KCNN1KCNN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773345-B1 NON-IMIDAZOLE TERTIARY AMINES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS ATHERSYS INC (US) 2013-12-11 EP disclosed
US-7319103-B2 Non-imidazole tertiary amines as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. (US) 2008-01-15 US disclosed
US-7319103-B2 Non-imidazole tertiary amines as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. (US) 2008-01-15 US disclosed
US-7319103-B2 Non-imidazole tertiary amines as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. (US) 2008-01-15 US disclosed
EP-1773345-A2 NON-IMIDAZOLE TERTIARY AMINES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS Athersys, Inc. (US) 2007-04-18 EP disclosed
WO-2006004937-A2 NON-IMIDAZOLE TERTIARY AMINES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS ATHERSYS, INC. (US) 2006-01-12 WO disclosed
US-20060009451-A1 Non-imidazole tertiary amines as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. 2006-01-12 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-20060009451-A1 Non-imidazole tertiary amines as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders HRH3, HRH4, HRH1 PDE10A 3468/4885HTR2C 29/4885HTR2B 20/4885

“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.