SCHEMBL4379528

SCHEMBL4379528

CC(CO)N(C(=O)c1ccccc1)C(C)CO

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 6/20 0.49
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
PGR P06401 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
KCNH2 Q12809 1/20 0.44
NR1I2 O75469 1/20 0.41
MAPT P10636 2/20 0.41
HSD11B1 P28845 1/20 0.41
MLYCD O95822 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
XBP1 P17861 1/20 0.40
ATM Q13315 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL6383907 0.93 NPSR1 (0.50) TRPM8NPSR1ALDH1A1HPGDPGR
SCHEMBL6383709 0.93 NPSR1 (0.50) TRPM8NPSR1ALDH1A1HPGDPGR
SCHEMBL11170030 0.90 NPSR1 (0.45) TRPM8NPSR1ALDH1A1HPGDMAPT
SCHEMBL11783815 0.85 TRPM8 (0.53) TRPM8NPSR1ALDH1A1HPGDPGR
SCHEMBL28452950 0.81 MLYCD (0.53) TRPM8ALDH1A1HPGDPGRADRA2A
SCHEMBL8896112 0.80 PARP1 (0.46) TRPM8HPGD
SCHEMBL458409 0.79 NPSR1 (0.59) TRPM8NPSR1ALDH1A1HPGDPGR
SCHEMBL154606 0.78 TRPM8 (0.53) TRPM8NPSR1ALDH1A1HPGDPGR
Hydrochloric Acid SCHEMBL3759428 0.78 NPSR1 (0.57) TRPM8NPSR1ALDH1A1HPGDPGR
Hydrochloric Acid SCHEMBL31125741 0.78 NPSR1 (0.57) TRPM8NPSR1ALDH1A1HPGDPGR

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
EP-1203763-B1 Process for the synthesis of beta-hydroxyalkylamides EMS CHEMIE AG (CH) 2009-11-18 EP disclosed
US-7030272-B2 β-hydroxyalkylamides process for their production and their use KAPLAN ANDREAS 2006-04-18 US disclosed
US-20040260123-A1 Beta-hydroxyalkylamides process for their production and their use KAPLAN ANDREAS (CH) 2004-12-23 US disclosed
US-20020055595-A1 Beta-hydroxyalklyamides, process for their production and their use EMS-CHEMIE AG (CH) 2002-05-09 US disclosed
EP-1203763-A2 Beta-hydroxyalkylamides, their use and a process for their synthesis EMS-Chemie AG (CH) 2002-05-08 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-20020055595-A1 Beta-hydroxyalklyamides, process for their production and their use HACL2, CYP8B1, HDHD5 TRPM8 4475/4885NPSR1 3857/4885ALDH1A1 62/4885
US-20040260123-A1 Beta-hydroxyalkylamides process for their production and their use HACL2, CYP8B1, ADH1A TRPM8 4752/4885NPSR1 3948/4885ALDH1A1 27/4885

“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.