Mandelic Acid

Mandelic Acid

SCHEMBL4846192

C=C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1.O=C(O)C(O)c1ccccc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.46
TACR1 P25103 2/20 0.44
ATM Q13315 1/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BACE1 P56817 1/20 0.39

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
SCHEMBL4292791 0.85 SIGMAR1 (0.52) TACR1LMNAALDH1A1DRD4SIGMAR1
SCHEMBL4842229 0.85 SIGMAR1 (0.52) TACR1LMNAALDH1A1DRD4SIGMAR1
SCHEMBL4836946 0.85 SIGMAR1 (0.52) TACR1LMNAALDH1A1DRD4SIGMAR1
SCHEMBL2089277 0.76 SIGMAR1 (0.53) TACR1LMNAALDH1A1DRD4SIGMAR1
Hydrochloric Acid SCHEMBL29257059 0.75 SIGMAR1 (0.52) TACR1LMNAALDH1A1DRD4SIGMAR1
SCHEMBL11446837 0.73 AGTR2 (0.47) AGTR2TACR1ATMKDM4ELMNA
SCHEMBL7240008 0.72 SIGMAR1 (0.52) TACR1LMNAALDH1A1DRD4SIGMAR1
SCHEMBL6726679 0.71 SIGMAR1 (0.50) LMNAALDH1A1SIGMAR1
SCHEMBL11874623 0.71 MAPT (0.44) SIGMAR1
SCHEMBL28915025 0.71 SIGMAR1 (0.50) TACR1LMNAALDH1A1DRD4SIGMAR1

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
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
EP-1546134-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES LILLY CO ELI (US) 2007-05-02 EP disclosed
US-20060270656-A1 Substituted piperazines of azepines, oxazepines and thiazepines ELI LILLY AND COMPANY 2006-11-30 US disclosed
EP-1664063-A1 SUBSTITUTED PIPERAZINES OF AZEPINES, OXAZEPINES, AND THIAZEPINES ELI LILLY AND COMPANY (US) 2006-06-07 EP disclosed
US-20060084643-A1 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY 2006-04-20 US disclosed
EP-1546134-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2005-06-29 EP disclosed
WO-2005026177-A1 SUBSTITUTED PIPERAZINES OF AZEPINES, OXAZEPINES, AND THIAZEPINES ELI LILLY AND COMPANY (US) 2005-03-24 WO disclosed
WO-2004014895-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2004-02-19 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-20060270656-A1 Substituted piperazines of azepines, oxazepines and thiazepines HRH4, HRH2, HRH3 AGTR2 749/4885TACR1 24/4885ATM 4286/4885
US-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 AGTR2 421/4885TACR1 116/4885ATM 4425/4885

“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.