SCHEMBL13360954

SCHEMBL13360954

SCCCCN1CCc2c([nH]c3ccccc23)C1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.75
SIGMAR1 Q99720 3/20 0.73
GRIN2B Q13224 1/20 0.67

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
SCHEMBL29941615 0.96 SIGMAR1 (0.74) HTR1ASIGMAR1GRIN2B
SCHEMBL4944193 0.87 HTR1A (0.97) HTR1ASIGMAR1GRIN2B
SCHEMBL22528263 0.85 SIGMAR1 (0.79) HTR1ASIGMAR1GRIN2B
SCHEMBL28345419 0.85 SIGMAR1 (0.74) HTR1ASIGMAR1GRIN2B
SCHEMBL7249585 0.85 SIGMAR1 (0.74) HTR1ASIGMAR1GRIN2B
SCHEMBL10675764 0.85 SIGMAR1 (0.74) HTR1ASIGMAR1GRIN2B
SCHEMBL10566722 0.85 SIGMAR1 (0.74) HTR1ASIGMAR1GRIN2B
SCHEMBL7246919 0.84 GRIN2B (0.82) HTR1ASIGMAR1GRIN2B
SCHEMBL22528260 0.84 SIGMAR1 (1.00) HTR1ASIGMAR1GRIN2B
SCHEMBL16335361 0.83 SIGMAR1 (0.75) HTR1ASIGMAR1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-05-06 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-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 HTR1A 2510/4885SIGMAR1 3888/4885GRIN2B 1644/4885

“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.