SCHEMBL21153204

SCHEMBL21153204

C#CC(Cc1cccc(OC)c1)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.56
TAAR1 Q96RJ0 2/20 0.50
BCHE P06276 3/20 0.49
MAOB P27338 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRM2 P08172 1/20 0.46
SLC2A1 P11166 1/20 0.46
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
HIF1A Q16665 1/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL26858667 0.82 CYP2D6 (0.43) KDM4EALDH1A1HTTIDO1
SCHEMBL7800224 0.81 SIGMAR1 (0.53) MAOBSMN1; SMN2IDO1POLBMEN1
SCHEMBL21153206 0.79 SLC1A1 (0.43) MAOBKDM4EIDO1AGXTPOLB
SCHEMBL8061284 0.73 CASR (0.72) CASR
SCHEMBL30245831 0.73 KDM4E (0.77) CASRBCHEKDM4EALDH1A1HTT
SCHEMBL8880839 0.73 KDM4E (0.77) CASRBCHEKDM4EALDH1A1HTT
SCHEMBL10775771 0.73 BCHE (0.52) BCHEMAOBSMN1; SMN2POLB
SCHEMBL5271341 0.73 BCHE (0.64) CASRBCHEMAOBSLC2A1MEN1
SCHEMBL5266446 0.72 BCHE (0.62) CASRBCHEMAOBKDM4EALDH1A1
SCHEMBL2954251 0.71 CASR (0.60) CASRTAAR1KDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210052519-A1 Small molecule drugs and related methods for treatment of diseases related to tdo-43, alpha-synuclein, huntingtin's protein and tau protein oligomer formation ACELOT,INC (US) 2021-02-25 US disclosed
US-20200223788-A1 SMALL MOLECULE DRUGS AND RELATED METHODS FOR TREATMENT OF DISEASES RELATED TO ABETA42 OLIGOMER FORMATION ACELOT, INC. 2020-07-16 US disclosed
US-10703711-B2 Small molecule drugs and related methods for treatment of diseases related to Aβ42 oligomer formation ACELOT, INC. (US) 2020-07-07 US disclosed
US-20190210959-A1 Small molecule drugs and related methods for treatment of diseases related to abeta42 oligomer formation ACELOT, INC. 2019-07-11 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 (4 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-20190210959-A1 Small molecule drugs and related methods for treatment of diseases related to abeta42 oligomer formation APP, PSEN2, PSEN1 CASR 3062/4885TAAR1 2452/4885BCHE 36/4885
US-10703711-B2 Small molecule drugs and related methods for treatment of diseases related to Aβ42 oligomer formation APP, PSEN2, PSEN1 CASR 2783/4885TAAR1 1901/4885BCHE 121/4885
US-20200223788-A1 SMALL MOLECULE DRUGS AND RELATED METHODS FOR TREATMENT OF DISEASES RELATED TO ABETA42 OLIGOMER FORMATION APP, PSEN2, PSEN1 CASR 3062/4885TAAR1 2452/4885BCHE 36/4885
US-20210052519-A1 Small molecule drugs and related methods for treatment of diseases related to tdo-43, alpha-synuclein, huntingtin's protein and tau protein oligomer formation HTT, TARDBP, SNCA CASR 4416/4885TAAR1 1767/4885BCHE 1481/4885

“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.