SCHEMBL5294145

SCHEMBL5294145

OCCCCc1c(Cl)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.52
AKR1B1 P15121 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.36
ADRA2A P08913 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2C9 P11712 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
MAOA P21397 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL1926900 0.93 TAAR1 (0.54) TAAR1AKR1B1SMN1; SMN2GAALMNA
SCHEMBL6835043 0.89 TAAR1 (0.50) TAAR1AKR1B1SMN1; SMN2GAALMNA
Lithium Ion SCHEMBL6835042 0.87 TAAR1 (0.48) TAAR1AKR1B1SMN1; SMN2GAALMNA
SCHEMBL9117779 0.86 TSHR (0.42) TAAR1AKR1B1SMN1; SMN2GAALMNA
SCHEMBL4428349 0.85 TAAR1 (0.61) TAAR1AKR1B1SMN1; SMN2GAALMNA
SCHEMBL908383 0.83 TAAR1 (0.58) TAAR1AKR1B1SMN1; SMN2GAALMNA
SCHEMBL137678 0.81 TSHR (0.45) TAAR1AKR1B1SMN1; SMN2GAALMNA
SCHEMBL20749154 0.81 TAAR1 (0.42) TAAR1AKR1B1SMN1; SMN2GAALMNA
SCHEMBL1924990 0.81 RECQL (0.43) TAAR1AKR1B1SMN1; SMN2LMNAKMT2A
SCHEMBL1803630 0.80 CYP3A4 (0.37) TAAR1AKR1B1SMN1; SMN2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497261-B1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LTD (GB) 2007-12-19 EP disclosed
US-7271197-B2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-09-18 US disclosed
US-20070135490-A1 Phenetanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-06-14 US disclosed
EP-1675821-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
US-20050256201-A1 Phenethanolamine derivatives GLAXO GROUP LIMITED 2005-11-17 US disclosed
WO-2005044787-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-05-19 WO disclosed
EP-1497261-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003091204-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-11-06 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 (2 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-20050256201-A1 Phenethanolamine derivatives PNMT, PHOSPHO1, NAPEPLD TAAR1 401/4885AKR1B1 2115/4885SMN1; SMN2 2988/4885
US-20070135490-A1 Phenetanolamine derivatives ADRB2, ADRB1, ADRB3 TAAR1 75/4885AKR1B1 395/4885SMN1; SMN2 3702/4885

“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.