SCHEMBL3818366

SCHEMBL3818366

C[C@](Br)(Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
HIF1A Q16665 1/20 0.55
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
SLC6A2 P23975 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP2D6 P10635 1/20 0.47
TRPA1 O75762 1/20 0.46
MMP8 P22894 3/20 0.45
CYP1A2 P05177 2/20 0.45
RECQL P46063 1/20 0.45
RIPK1 Q13546 1/20 0.44
BLM P54132 1/20 0.44
FDPS P14324 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL3818364 1.00 SMN1; SMN2 (0.55) SMN1; SMN2HIF1APPARGPPARASLC6A2
SCHEMBL26664476 0.91 BLM (0.52) SMN1; SMN2HIF1APPARGPPARASLC6A2
SCHEMBL3301635 0.83 SLC6A2 (0.52) SMN1; SMN2HIF1APPARGPPARASLC6A2
SCHEMBL3301639 0.83 SLC6A2 (0.52) SMN1; SMN2HIF1APPARGPPARASLC6A2
SCHEMBL27792993 0.82 PPARA (0.55) PPARGPPARASLC6A2CYP3A4CYP2C9
SCHEMBL26664449 0.80 BLM (0.43) SMN1; SMN2HIF1APPARGPPARACYP3A4
SCHEMBL28294369 0.80 MMP8 (0.50) SMN1; SMN2HIF1APPARGPPARASLC6A2
SCHEMBL8710382 0.80 SMN1; SMN2 (0.57) SMN1; SMN2HIF1APPARGPPARASLC6A2
SCHEMBL27908890 0.80 SMN1; SMN2 (0.57) SMN1; SMN2HIF1APPARGPPARASLC6A2
SCHEMBL517462 0.80 SMN1; SMN2 (0.57) SMN1; SMN2HIF1APPARGPPARASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483255-B1 PROCESS FOR SYNTHESIZING CHIRAL N-ARYL PIPERAZINES WYETH CORP (US) 2009-08-12 EP disclosed
US-7091349-B2 Process for synthesizing N-aryl piperazines with chiral N′-1-[benzoyl(2-pyridyl)amino]-2-propane substitution WYETH (US) 2006-08-15 US disclosed
EP-1483255-A1 PROCESS FOR SYNTHESIZING CHIRAL N-ARYL PIPERAZINES Wyeth, A Corporation of the State of Delaware (US) 2004-12-08 EP disclosed
US-20040230056-A1 Process for synthesizing N-aryl piperazines with chiral N'-1-[benzoyl(2-pyridyl)amino]-2-propane substitution WYETH 2004-11-18 US disclosed
US-6713626-B2 Process for synthesizing N-aryl piperazines with chiral N′-1-[benzoyl(2-pyridyl)amino]-2-propane substitution WYETH 2004-03-30 US disclosed
US-20030187265-A1 Process for synthesizing N-aryl piperazines with chiral N'-1-[benzoyl(2-pyridyl)amino]-2-propane substitution WYETH 2003-10-02 US disclosed
WO-2003078417-A1 PROCESS FOR SYNTHESIZING CHIRAL N-ARYL PIPERAZINES WYETH, A CORPORATION OF THE STATE OF DELAWARE (US) 2003-09-25 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-20040230056-A1 Process for synthesizing N-aryl piperazines with chiral N'-1-[benzoyl(2-pyridyl)amino]-2-propane substitution TPH1, HTR1B, HTR1A SMN1; SMN2 1936/4885HIF1A 2507/4885PPARG 1326/4885
US-20030187265-A1 Process for synthesizing N-aryl piperazines with chiral N'-1-[benzoyl(2-pyridyl)amino]-2-propane substitution TPH1, HTR1B, HTR1A SMN1; SMN2 1936/4885HIF1A 2507/4885PPARG 1326/4885

“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.