SCHEMBL85233

SCHEMBL85233

Cc1ccc2c(c1)cc(C(=O)O)n2-c1ccc(OCCCN2CCC[C@H]2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.54
KCNH2 Q12809 1/20 0.54
CYP2D6 P10635 1/20 0.47
HTR3A P46098 1/20 0.47

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
SCHEMBL92644 0.91 HRH3 (0.52) HRH3KCNH2
SCHEMBL85700 0.90 HRH3 (0.51) HRH3KCNH2CYP2D6
SCHEMBL85704 0.90 HRH3 (0.51) HRH3KCNH2CYP2D6HTR3A
SCHEMBL14874700 0.89 HRH3 (0.58) HRH3KCNH2
SCHEMBL85606 0.87 HRH3 (0.47) HRH3KCNH2CYP2D6
SCHEMBL92638 0.82 HRH3 (0.50) HRH3KCNH2CYP2D6
SCHEMBL75188 0.81 HRH3 (0.51) HRH3KCNH2
SCHEMBL75187 0.81 HRH3 (0.51) HRH3KCNH2
SCHEMBL73525 0.80 HRH3 (0.55) HRH3KCNH2CYP2D6HTR3A
SCHEMBL73524 0.80 HRH3 (0.55) HRH3KCNH2CYP2D6HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129424-B2 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. (US) 2012-03-06 US disclosed
US-20110059966-A1 INDOLE DERIVATIVES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS BENNANI YOUSSEF L 2011-03-10 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-20110059966-A1 INDOLE DERIVATIVES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS HRH3, HCRTR1, HCRTR2 HRH3 1/4885KCNH2 1998/4885CYP2D6 896/4885

“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.