SCHEMBL3634571

SCHEMBL3634571

COc1ccccc1OC[C@@H]1CO1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.71
GLA P06280 1/20 0.71
ADRA2C P18825 1/20 0.63
TDP1 Q9NUW8 1/20 0.56
DRD4 P21917 5/20 0.55
CHRNB4 P30926 2/20 0.54
CHRNA3 P32297 2/20 0.54
TP53 P04637 2/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
HTR1A P08908 3/20 0.49
ADRA1A P35348 3/20 0.49
ADRA1D P25100 2/20 0.49
ADRA1B P35368 2/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48

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
SCHEMBL7282918 1.00 ALDH1A1 (0.71) ALDH1A1GLAADRA2CTDP1DRD4
SCHEMBL93244 1.00 ALDH1A1 (0.71) ALDH1A1GLAADRA2CTDP1DRD4
SCHEMBL29769262 1.00 ALDH1A1 (0.71) ALDH1A1GLAADRA2CTDP1DRD4
SCHEMBL679937 0.90 ALDH1A1 (0.78) ALDH1A1GLAADRA2CTDP1DRD4
SCHEMBL22357196 0.90 ALDH1A1 (0.78) ALDH1A1GLAADRA2CTDP1DRD4
SCHEMBL28424897 0.89 ALDH1A1 (0.71) ALDH1A1GLAADRA2CTDP1DRD4
SCHEMBL29929987 0.89 ALDH1A1 (0.57) ALDH1A1GLAADRA2CTDP1DRD4
SCHEMBL12590671 0.88 ALDH1A1 (0.65) ALDH1A1GLAADRA2CTDP1DRD4
SCHEMBL17432746 0.87 ADRA2C (0.62) ALDH1A1GLAADRA2CTDP1DRD4
SCHEMBL11053460 0.86 ADRA2C (0.60) ALDH1A1GLAADRA2CTDP1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155697-A1 SUBSTITUTED PIPERAZINES Auspex Pharmaceuticals Inc. (US) 2010-02-24 EP disclosed
US-7498338-B2 Compounds ASTRAZENECA AB (SE) 2009-03-03 US disclosed
WO-2008157240-A1 SUBSTITUTED PIPERAZINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed
US-20070129393-A1 Novel compounds ASTRAZENECA AB (SE) 2007-06-07 US disclosed
EP-1687311-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2006-08-09 EP disclosed
WO-2005049620-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-06-02 WO disclosed
CN-1315830-A Method for treating anxiety disorders LILLY CO ELI (US) 2001-10-03 CN disclosed
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
WO-2000006082-A2 TREATMENT OF ANXIETY DISORDERS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
US-4567264-A ADRENERGIC BLOCKING AGENTS SYNTEX (U.S.A.) INC. (US) 1986-01-28 US disclosed
EP-0126449-A1 Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry SYNTEX (U.S.A.) INC. (US) 1984-11-28 EP 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-20070129393-A1 Novel compounds C1R, CHRM1, CHRM2 ALDH1A1 2759/4885GLA 3557/4885ADRA2C 465/4885

“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.