SCHEMBL4023734

SCHEMBL4023734

CC(=O)N[C@](C)(CCc1cccn1C)COC(C)=O.Cn1cccc1CCC(C)(N)CO.Cn1cccc1CCC(C)(N)CO

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL384786 0.91 RAB9A (0.35) ALDH1A1CYP1A2CYP2C9CYP2C19RECQL
SCHEMBL4022801 0.88
SCHEMBL386444 0.79 CYP2C19 (0.36) ALDH1A1CYP1A2CYP2C19RECQLRAB9A
SCHEMBL387516 0.78 TAAR1 (0.32) ALDH1A1RECQLSMN1; SMN2MAPT
SCHEMBL4014366 0.78 ALDH1A1 (0.43) ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL1453846 0.76 NPC1 (0.34) ALDH1A1CYP1A2CYP2C9CYP2C19RECQL
SCHEMBL7621704 0.74 GRM2 (0.37) ALDH1A1RECQL
SCHEMBL386711 0.72
SCHEMBL7614876 0.71 ALDH1A1 (0.46) ALDH1A1RECQLRAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL7622475 0.70 S1PR1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090326038-A1 Method for treating a immunology-related disease SANKYO COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-7638551-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2009-12-29 US disclosed
EP-1471054-B1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE DAIICHI SANKYO CO LTD (JP) 2009-07-01 EP disclosed
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
US-20070105933-A1 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-05-10 US 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 (3 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-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 ALDH1A1 2821/4885CYP1A2 2003/4885CYP2C9 2225/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB ALDH1A1 582/4885CYP1A2 259/4885CYP2C9 1032/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 ALDH1A1 1443/4885CYP1A2 2160/4885CYP2C9 2218/4885

“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.