SCHEMBL13330463

SCHEMBL13330463

CCCNCc1cccc(OC)c1OC

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
KDM4E B2RXH2 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
GAA P10253 1/20 0.56
BCHE P06276 5/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
CHRM2 P08172 5/20 0.53
GRIN1 Q05586 3/20 0.53
GRIN2A Q12879 3/20 0.53
ACHE P22303 2/20 0.53

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
SCHEMBL3965713 0.90 ALDH1A1 (0.60) ALDH1A1HTR2AHTR2CCYP3A4CYP2D6
SCHEMBL3962959 0.88 CHRM2 (0.63) ALDH1A1CYP3A4CYP2D6BCHEKMT2A
SCHEMBL7000552 0.88 KDM4E (0.69) ALDH1A1HTR2AHTR2CKDM4EL3MBTL1
SCHEMBL31711441 0.86 KDM4E (0.60) ALDH1A1HTR2AHTR2CKDM4EL3MBTL1
SCHEMBL8138468 0.84 CHRM2 (0.72) ALDH1A1CYP3A4CYP2D6GAABCHE
SCHEMBL5727444 0.83 CHRM2 (0.53) CYP3A4CYP2D6BCHEKMT2AMEN1
Hydrochloric Acid SCHEMBL4354687 0.83 CHRM2 (0.73) ALDH1A1CYP3A4CYP2D6GAABCHE
Hydrochloric Acid SCHEMBL9351001 0.83 CHRM2 (0.73) ALDH1A1CYP3A4CYP2D6GAABCHE
SCHEMBL25609403 0.82 HTR2A (0.61) ALDH1A1HTR2AHTR2CCYP3A4CYP2D6
SCHEMBL6136209 0.79 ALDH1A1 (0.55) ALDH1A1HTR2AHTR2CKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642801-B2 Methods and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-02-04 US disclosed
US-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-05-06 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 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 ALDH1A1 2989/4885HTR2A 2007/4885HTR2C 3329/4885

“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.