SCHEMBL7103054

SCHEMBL7103054

O=C(O)CNC(=O)C(CO)Cc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.74
ACE P12821 4/20 0.74
ALDH1A1 P00352 2/20 0.74
ECE1 P42892 2/20 0.74
HPGD P15428 1/20 0.74
MAPK1 P28482 1/20 0.74
HSD17B10 Q99714 1/20 0.74
MEN1 O00255 1/20 0.74
MAPT P10636 1/20 0.74
BLM P54132 1/20 0.74
NPEPPS P55786 1/20 0.74
KMT2A Q03164 1/20 0.74

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
SCHEMBL825762 1.00 MME (0.74) MMEACEALDH1A1ECE1HPGD
SCHEMBL10447979 0.91 MME (0.81) MMEACEALDH1A1ECE1HPGD
Thiorphan SCHEMBL401174 0.85 MME (1.00) MMEACEALDH1A1ECE1HPGD
SCHEMBL9622300 0.85 MME (0.72) MMEACEALDH1A1ECE1HPGD
(R)-Thiorphan SCHEMBL7312756 0.85 MME (1.00) MMEACEALDH1A1ECE1HPGD
(S)-Thiorphan SCHEMBL49662 0.85 MME (1.00) MMEACEALDH1A1ECE1HPGD
SCHEMBL9622302 0.85 MME (0.72) MMEACEALDH1A1ECE1HPGD
SCHEMBL10691553 0.84 MME (0.70) MMEACEALDH1A1ECE1HPGD
SCHEMBL19437143 0.84 MME (0.70) MMEACEALDH1A1ECE1HPGD
SCHEMBL7107731 0.82 CYP1A2 (0.70) MMEACEALDH1A1ECE1HPGD

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-10093625-B2 Process for the preparation of [[2(S)-[[4(R)-(3-hydroxyphenyl)-3(R),4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-phenylpropyl]amino]acetic acid dihydrate MSN LABORATORIES PRIVATE LIMITED (IN) 2018-10-09 US claimed
US-20170247328-A1 IMPROVED PROCESS FOR THE PREPARATION OF [[2(S)-[[4(R)-(3-HYDROXYPHENYL)-3(R),4-DIMETHYL-1-PIPERIDINYL]METHYL]-1-OXO-3-PHENYLPROPYL]AMINO]ACETIC ACID DIHYDRATE MSN LABORATORIES PRIVATE LIMITED (IN) 2017-08-31 US claimed
EP-0937710-B1 Method for producing an optically active phenylpropionic acid derivative AJINOMOTO KK (JP) 2003-04-16 EP claimed
US-10093625-B2 Process for the preparation of [[2(S)-[[4(R)-(3-hydroxyphenyl)-3(R),4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-phenylpropyl]amino]acetic acid dihydrate MSN LABORATORIES PRIVATE LIMITED (IN) 2018-10-09 US disclosed
US-20170247328-A1 IMPROVED PROCESS FOR THE PREPARATION OF [[2(S)-[[4(R)-(3-HYDROXYPHENYL)-3(R),4-DIMETHYL-1-PIPERIDINYL]METHYL]-1-OXO-3-PHENYLPROPYL]AMINO]ACETIC ACID DIHYDRATE MSN LABORATORIES PRIVATE LIMITED (IN) 2017-08-31 US disclosed
WO-2011161646-A2 PROCESS FOR THE PREPARATION OF ALVIMOPAN OR ITS PHARMACEUTICALLY ACCEPTABLE SALT OR SOLVATE THEREOF RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 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-20170247328-A1 IMPROVED PROCESS FOR THE PREPARATION OF [[2(S)-[[4(R)-(3-HYDROXYPHENYL)-3(R),4-DIMETHYL-1-PIPERIDINYL]METHYL]-1-OXO-3-PHENYLPROPYL]AMINO]ACETIC ACID DIHYDRATE HPD, GRHPR, HCAR2 MME 3217/4885ACE 442/4885ALDH1A1 15/4885
US-10093625-B2 Process for the preparation of [[2(S)-[[4(R)-(3-hydroxyphenyl)-3(R),4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-phenylpropyl]amino]acetic acid dihydrate HPD, HCAR2, GRHPR MME 2400/4885ACE 425/4885ALDH1A1 6/4885

“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.