SCHEMBL73390

SCHEMBL73390

c1ccc2c(c1)cc(COC1CCCCC1)n2-c1ccc(OCCCC2CCNC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 16/20 0.40
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
REN P00797 1/20 0.37
KCNH2 Q12809 2/20 0.36

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
SCHEMBL74656 0.81 HRH3 (0.48) KCNH2
SCHEMBL74515 0.79 HRH3 (0.46) KCNH2
SCHEMBL7960130 0.66 NPY1R (0.70) NPY1R
SCHEMBL935709 0.65 NPY1R (0.50) NPY1RSLC6A2SLC6A4
SCHEMBL7956507 0.65 ITGB3 (0.46) NPY1RSLC6A2SLC6A4SLC6A3
SCHEMBL935234 0.65 NPY1R (0.50) NPY1RSLC6A2SLC6A4
SCHEMBL74060 0.65 HRH3 (0.52) KCNH2
SCHEMBL15281969 0.63 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7958522 0.63 NPY1R (0.68) NPY1R
SCHEMBL75417 0.63 HRH3 (0.50) KCNH2

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 NPY1R 120/4885SLC6A2 212/4885SLC6A4 109/4885

“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.