SCHEMBL4955065

SCHEMBL4955065

Oc1ccc(-c2c3c(nc4ccnn24)CCCC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.40
HTR2B P41595 5/20 0.40
HTR2A P28223 4/20 0.40
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
ACHE P22303 2/20 0.36
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 2/20 0.36
BCHE P06276 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34

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
SCHEMBL4955385 0.99 HTR2C (0.41) HTR2CHTR2BHTR2ACCNE1CDK2
SCHEMBL4955856 0.97 HTR2C (0.40) HTR2CHTR2BHTR2ACCNE1CDK2
SCHEMBL14282916 0.81 CCNE1 (0.37) HTR2CHTR2BHTR2ACCNE1CDK2
SCHEMBL4953120 0.80 HTR2C (0.36) HTR2CHTR2BHTR2AHSD17B10ALDH1A1
SCHEMBL4958926 0.79 HTR2C (0.46) HTR2CHTR2BHTR2AACHEHSD17B10
SCHEMBL4956749 0.79 WDR5 (0.48) ACHEHSD17B10ALDH1A1BCHEKDM4E
SCHEMBL4955647 0.78 HTR2C (0.37) HTR2CHTR2BHTR2AACHEHSD17B10
SCHEMBL4958708 0.78 HTR2C (0.47) HTR2CHTR2BHTR2AACHEHSD17B10
SCHEMBL4956354 0.78 WDR5 (0.47) ACHEHSD17B10ALDH1A1BCHEKDM4E
SCHEMBL4956587 0.77 HTR2C (0.38) HTR2CHTR2BHTR2AACHE

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 5 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
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 HTR2C 29/4885HTR2B 20/4885HTR2A 44/4885

“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.