SCHEMBL10109174

SCHEMBL10109174

CNS(=O)(=O)CCc1ccc2c(c1)c(C1CCN(C)CC1)cn2C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.62
HTR1D P28221 2/20 0.62
HTR1A P08908 1/20 0.62
DRD2 P14416 13/20 0.35
HTR6 P50406 2/20 0.34
RORC P51449 4/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL8199122 0.88 HTR1A (0.66) HTR1BHTR1DHTR1ADRD2HTR6
SCHEMBL10123902 0.85 HTR1B (0.63) HTR1BHTR1DHTR1ADRD2HTR6
SCHEMBL12004601 0.82 HTR1A (0.59) HTR1BHTR1DHTR1ADRD2HTR6
Naratriptan SCHEMBL29403931 0.76 HTR1D (1.00) HTR1BHTR1DHTR1AHTR6
Naratriptan SCHEMBL68753 0.76 HTR1D (1.00) HTR1BHTR1DHTR1AHTR6
Naratriptan SCHEMBL41527 0.76 HTR1D (0.98) HTR1BHTR1DHTR1AHTR6
Naratriptan SCHEMBL30903899 0.76 HTR1D (0.98) HTR1BHTR1DHTR1AHTR6
Naratriptan SCHEMBL12803311 0.76 HTR1D (0.98) HTR1BHTR1DHTR1AHTR6
Naratriptan SCHEMBL28587084 0.76 HTR1D (0.98) HTR1BHTR1DHTR1AHTR6
Naratriptan SCHEMBL41528 0.75 HTR1D (0.96) HTR1BHTR1DHTR1AHTR6

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-8101782-B2 Drug hybrid of rivastigmine or physostigmine with tranylcypromine, amoxapine, desipramine, nortriptyline, protriptyline, fluoxetine, fluvoxamine, paroxetine, duloxetine, betahistine, amlodipine, proylhexedrine, rimantadine, desloratadine; Alzheimer's disease; Parkinson's disease, impairment in memory COLUCID PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20080261950-A1 Compounds that inhibit cholinesterase COLUCID PHARMACEUTICALS, INC. (US) 2008-10-23 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-20080261950-A1 Compounds that inhibit cholinesterase ACHE, BCHE, CHAT HTR1B 799/4885HTR1D 1726/4885HTR1A 1027/4885

“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.