SCHEMBL11946673

SCHEMBL11946673

CNS(=O)(=O)CCc1ccc2c(C3CCN(C)CC3)c[nH]c2c1

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 12/20 0.84
HTR1B P28222 12/20 0.84
HTR1A P08908 2/20 0.84
APP P05067 3/20 0.53
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
THPO P40225 1/20 0.46
HTR1F P30939 1/20 0.46
DRD2 P14416 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR6 P50406 1/20 0.44

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
Naratriptan SCHEMBL68753 0.92 HTR1D (1.00) HTR1DHTR1BHTR1AAPPCYP1A2
Naratriptan SCHEMBL29403931 0.92 HTR1D (1.00) HTR1DHTR1BHTR1AAPPCYP1A2
Naratriptan SCHEMBL28587084 0.91 HTR1D (0.98) HTR1DHTR1BHTR1AAPPCYP1A2
Naratriptan SCHEMBL41527 0.91 HTR1D (0.98) HTR1DHTR1BHTR1AAPPCYP1A2
Naratriptan SCHEMBL12803311 0.91 HTR1D (0.98) HTR1DHTR1BHTR1AAPPCYP1A2
Naratriptan SCHEMBL30903899 0.91 HTR1D (0.98) HTR1DHTR1BHTR1AAPPCYP1A2
Naratriptan SCHEMBL41528 0.90 HTR1D (0.96) HTR1DHTR1BHTR1AAPPCYP1A2
SCHEMBL2739044 0.89 HTR1D (0.67) HTR1DHTR1BHTR1AAPPCYP1A2
SCHEMBL9272206 0.85 HTR1D (0.88) HTR1DHTR1BHTR1AAPPCYP1A2
Hydrochloric Acid SCHEMBL9274904 0.85 HTR1D (0.86) HTR1DHTR1BHTR1AAPPCYP1A2

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
US-8802596-B2 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-08-12 US disclosed
US-8232265-B2 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-07-31 US disclosed
US-8232265-B2 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-07-31 US disclosed
US-20070093462-A1 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2007-04-26 US disclosed
US-20070093462-A1 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2007-04-26 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-20070093462-A1 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients SLC5A6, PNLIP, IPMK HTR1D 3466/4885HTR1B 2183/4885HTR1A 2543/4885

“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.