SCHEMBL5872470

SCHEMBL5872470

CC[C@@H](C)[C@H](N)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.42
TTR P02766 1/20 0.42
KMT2A Q03164 1/20 0.42
KIF11 P52732 4/20 0.41
KCNA5 P22460 1/20 0.41
GRIN1 Q05586 4/20 0.38
GRIN2A Q12879 4/20 0.38
GRIN2D O15399 3/20 0.38
GRIN2C Q14957 3/20 0.38
GRIN2B Q13224 2/20 0.38
TRPA1 O75762 1/20 0.38
CYP1A2 P05177 1/20 0.38
DPP8 Q6V1X1 2/20 0.37

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
SCHEMBL5872305 1.00 CYP2D6 (0.47) CYP2D6ALDH1A1CYP2C19HSD17B10KDM4E
SCHEMBL5872314 1.00 CYP2D6 (0.47) CYP2D6ALDH1A1CYP2C19HSD17B10KDM4E
SCHEMBL7786353 1.00 CYP2D6 (0.47) CYP2D6ALDH1A1CYP2C19HSD17B10KDM4E
SCHEMBL1131649 0.80 KCNA5 (0.49) CYP2D6ALDH1A1CYP2C19HSD17B10KDM4E
SCHEMBL607719 0.80 KCNA5 (0.49) CYP2D6ALDH1A1CYP2C19HSD17B10KDM4E
SCHEMBL1131651 0.80 KCNA5 (0.49) CYP2D6ALDH1A1CYP2C19HSD17B10KDM4E
SCHEMBL8620148 0.79 KCNA5 (0.47) CYP2D6ALDH1A1CYP2C19HSD17B10KDM4E
SCHEMBL7859912 0.79 LMNA (0.61) CYP2D6ALDH1A1CYP2C19HSD17B10KDM4E
Hydrochloric Acid SCHEMBL6543858 0.79 KCNA5 (0.47) CYP2D6ALDH1A1CYP2C19HSD17B10KDM4E
Hydrochloric Acid SCHEMBL6543863 0.79 KCNA5 (0.47) CYP2D6ALDH1A1CYP2C19HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637457-B2 Process for the stereoselective preparation of a pyrazole-carboxamide SYNGENTA PARTICIPATIONS AG (CH) 2017-05-02 US disclosed
US-9637457-B2 Process for the stereoselective preparation of a pyrazole-carboxamide SYNGENTA PARTICIPATIONS AG (CH) 2017-05-02 US disclosed
US-20160108001-A1 PROCESS FOR THE STEREOSELECTIVE PREPARATION OF A PYRAZOLE-CARBOXAMIDE SYNGENTA PARTICIPATIONS AG (CH) 2016-04-21 US disclosed
US-20160108001-A1 PROCESS FOR THE STEREOSELECTIVE PREPARATION OF A PYRAZOLE-CARBOXAMIDE SYNGENTA PARTICIPATIONS AG (CH) 2016-04-21 US disclosed
WO-2014206855-A1 PROCESS FOR THE STEREOSELECTIVE PREPARATION OF A PYRAZOLE-CARBOXAMIDE SYNGENTA PARTICIPATIONS AG (CH) 2014-12-31 WO disclosed
US-7126028-B1 Process for preparing chiral compounds THE UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) 2006-10-24 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 (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-20160108001-A1 PROCESS FOR THE STEREOSELECTIVE PREPARATION OF A PYRAZOLE-CARBOXAMIDE CYP3A4, CYP2C9, CYP2C19 CYP2D6 50/4885ALDH1A1 366/4885CYP2C19 3/4885

“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.