SCHEMBL7779197

SCHEMBL7779197

O[C@@H](CBr)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.52
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
HIF1A Q16665 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GSK3B P49841 1/20 0.40
GAA P10253 1/20 0.40
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
LMNA P02545 4/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
ADRB2 P07550 1/20 0.39
HTR1A P08908 1/20 0.39
IDO1 P14902 2/20 0.38
CYP2A6 P11509 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6280792 1.00 AOC3 (0.52) AOC3TSHRMAPK1HIF1ATDP1
SCHEMBL28036348 1.00 AOC3 (0.52) AOC3TSHRMAPK1HIF1ATDP1
SCHEMBL11860066 0.82 AOC3 (0.48) AOC3TSHRMAPK1HIF1ATDP1
SCHEMBL21353865 0.81 AOC3 (0.44) AOC3TSHRMAPK1HIF1ATDP1
SCHEMBL21353864 0.81 AOC3 (0.44) AOC3TSHRMAPK1HIF1ATDP1
SCHEMBL21393441 0.80 AOC3 (0.47) AOC3TSHRMAPK1HIF1ATDP1
SCHEMBL29700206 0.80 AOC3 (0.55) AOC3TSHRMAPK1HIF1ATDP1
SCHEMBL21363396 0.80 AOC3 (0.47) AOC3SLC6A2SLC6A4SLC6A3GAA
SCHEMBL5437078 0.78 AOC3 (0.53) AOC3TSHRMAPK1HIF1ATDP1
SCHEMBL1155443 0.78 AOC3 (0.53) AOC3TSHRMAPK1HIF1ATDP1

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
US-8623873-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2014-01-07 US disclosed
US-8623873-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2014-01-07 US disclosed
US-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 US disclosed
US-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 US disclosed
CN-101747211-A Synthesis method of derivative of chiral Beta-amino-alcohol and part of final products thereof ASYMCHEM LIFE SCIENCE TIANJIN 2010-06-23 CN disclosed
US-7700597-B2 Substituted piperazines as CB1 antagonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-7700597-B2 Substituted piperazines as CB1 antagonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2010-02-04 US disclosed
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2010-02-04 US disclosed
US-20090105208-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2009-04-23 US disclosed
US-20090105208-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2009-04-23 US disclosed
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 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 (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-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 AOC3 3370/4885TSHR 913/4885MAPK1 831/4885
US-20090105208-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 AOC3 3370/4885TSHR 913/4885MAPK1 831/4885

“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.