SCHEMBL3889869

SCHEMBL3889869

ClCCOCCc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.53
IDO1 P14902 3/20 0.47
CYP3A4 P08684 2/20 0.47
AGXT P21549 2/20 0.47
PNMT P11086 2/20 0.47
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3A P46098 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
AOC3 Q16853 1/20 0.46
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43
HTR6 P50406 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
TDO2 P48775 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL3173873 0.84 TAAR1 (0.52) TAAR1IDO1CYP3A4AGXTPNMT
SCHEMBL2092063 0.84 TAAR1 (0.52) TAAR1IDO1CYP3A4AGXTPNMT
SCHEMBL6003095 0.81 TAAR1 (0.49) TAAR1IDO1CYP3A4AGXTPNMT
SCHEMBL3084324 0.80 TAAR1 (0.65) TAAR1IDO1CYP3A4AGXTPNMT
SCHEMBL4375489 0.78 LMNA (0.43) TAAR1CHRM2CHRM1CHRM3
SCHEMBL9574314 0.78 TAAR1 (0.46) TAAR1IDO1CYP3A4AGXTPNMT
SCHEMBL1180332 0.78 ALDH1A1 (0.57) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3886046 0.78 CA1 (0.44) TAAR1IDO1HCAR2
SCHEMBL12050856 0.77 TAAR1 (0.74) TAAR1IDO1CYP3A4AGXTPNMT
SCHEMBL3096336 0.77 TAAR1 (0.57) TAAR1IDO1CYP3A4AGXTPNMT

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
CN-101395150-A Phenethanolamine derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-03-25 CN disclosed
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
EP-2013197-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2009-01-14 EP disclosed
WO-2007102771-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-13 WO 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-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A TAAR1 116/4885IDO1 1155/4885CYP3A4 1257/4885

“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.