SCHEMBL7401352

SCHEMBL7401352

NCC(O)(C(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
TAAR1 Q96RJ0 1/20 0.46
KCNN4 O15554 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
KIF11 P52732 4/20 0.40
HTT P42858 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
Hydrochloric Acid SCHEMBL21632081 0.98 CYP1A2 (0.45) CYP1A2TAAR1KCNN4CYP2D6MAPT
SCHEMBL27660504 0.83 KIF11 (0.45) CYP1A2KCNN4CYP2D6MAPTKMT2A
SCHEMBL28836796 0.79 KCNN4 (0.41) CYP1A2TAAR1KCNN4MAPTKMT2A
SCHEMBL15562485 0.79 OPRM1 (0.49) CYP1A2TAAR1KCNN4CYP2D6MAPT
SCHEMBL1420815 0.79 CYP1A2 (0.48) CYP1A2KCNN4CYP2D6MAPTKMT2A
SCHEMBL27688267 0.78 CYP1A2 (0.43) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL21656187 0.78 KCNN4 (0.58) CYP1A2TAAR1KCNN4MAPTKMT2A
SCHEMBL584028 0.77 CYP2C19 (0.47) CYP1A2KCNN4CYP2D6MAPTKMT2A
Ammonia Solution, Strong SCHEMBL31621219 0.77 CYP1A2 (0.46) CYP1A2KCNN4CYP2D6MAPTKMT2A
SCHEMBL8018070 0.77 CYP2C19 (0.57) CYP1A2CYP2D6MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0844992-B1 PROCESS FOR PRODUCING BETA-AMINO-ALPHA-HYDROXYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF DEGUSSA (DE) 2000-05-24 EP claimed
EP-0844992-A1 PROCESS FOR PRODUCING $g(b)-AMINO-$g(a)-HYDROXYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF Degussa Aktiengesellschaft (DE) 1998-06-03 EP claimed
WO-1997002236-A1 PROCESS FOR PRODUCING β-AMINO-α-HYDROXYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF DEGUSSA AKTIENGESELLSCHAFT (DE) 1997-01-23 WO claimed
EP-0643626-A4 CHIRAL CATALYSTS, CATALYTIC OXIDATION AND DISPROPORTIONATION REACTIONS, AND METHODS OF PRODUCING EPOXYCHROMANS AND TAXOL. RES CORP TECHNOLOGIES INC (US) 1995-12-06 EP claimed
EP-0643626-A1 CHIRAL CATALYSTS, CATALYTIC OXIDATION AND DISPROPORTIONATION REACTIONS, AND METHODS OF PRODUCING EPOXYCHROMANS AND TAXOL RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-03-22 EP claimed
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 US disclosed
EP-3609869-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed
US-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-01-30 US disclosed
CN-1975571-B Resist pattern thickening material and process for forming resist pattern, and semiconductor device and method for manufacturing the same FUJITSU LTD 2011-04-06 CN disclosed
CN-1975571-A Resist pattern thickening material and process for forming resist pattern, and semiconductor device and method for manufacturing the same FUJITSU LTD (JP) 2007-06-06 CN disclosed
EP-0844992-B1 PROCESS FOR PRODUCING BETA-AMINO-ALPHA-HYDROXYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF DEGUSSA (DE) 2000-05-24 EP disclosed
US-5932758-A Process for the production β-amino-α-hydroxycarboxylic acids and derivatives thereof DEGUSSA AKTIENGESELLSCHAFT (DE) 1999-08-03 US disclosed
US-5728876-A REACTION OF AMINES WITH ESTER IN THE PRESENCE OF PROTEASE OR LIPSE FOR ACYLATION BASF AKTIENGESELLSCHAFT (DE) 1998-03-17 US disclosed
US-5681970-A Method for the preparation of β-phenylisoserine derivatives RHONE-POULENC RORER S.A. (FR) 1997-10-28 US disclosed
EP-0467957-A1 MERCAPTO-ACYLAMINO ACIDS SCHERING CORPORATION (US) 1992-01-29 EP disclosed
WO-1990012003-A1 MERCAPTO-ACYLAMINO ACIDS SCHERING CORPORATION (US) 1990-10-18 WO disclosed
US-4927952-A CARBOXYLIC, AMINO, HYDROXY FUNCTIONALITIES EXSYMOL S.A.M. (MC) 1990-05-22 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 (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-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, NAT1, EPX CYP1A2 409/4885TAAR1 2529/4885KCNN4 4303/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX CYP1A2 409/4885TAAR1 2529/4885KCNN4 4303/4885

“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.