SCHEMBL6314766

SCHEMBL6314766

NC(=O)[C@@H](N)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.45
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 2/20 0.42
ACP3 P15309 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AOC3 Q16853 1/20 0.41
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
IDO2 Q6ZQW0 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
PNMT P11086 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
ALDH1A1 P00352 2/20 0.39
OPRL1 P41146 2/20 0.38
CYP2C9 P11712 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL23300492 1.00 CXCL8 (0.45) CXCL8CYP1A2CYP3A4ACP3MEN1
SCHEMBL18547605 1.00 CXCL8 (0.45) CXCL8CYP1A2CYP3A4ACP3MEN1
Hydrochloric Acid SCHEMBL5768283 0.98 CXCL8 (0.44) CXCL8CYP1A2CYP3A4ACP3MEN1
Hydrochloric Acid SCHEMBL5769380 0.98 CXCL8 (0.44) CXCL8CYP1A2CYP3A4ACP3MEN1
Hydrochloric Acid SCHEMBL5769382 0.98 CXCL8 (0.44) CXCL8CYP1A2CYP3A4ACP3MEN1
SCHEMBL753104 0.83 MEN1 (0.59) CXCL8CYP1A2CYP3A4ACP3MEN1
SCHEMBL29122982 0.83 MEN1 (0.59) CXCL8CYP1A2CYP3A4ACP3MEN1
SCHEMBL6322741 0.83 MEN1 (0.59) CXCL8CYP1A2CYP3A4ACP3MEN1
SCHEMBL1159922 0.83 MEN1 (0.59) CXCL8CYP1A2CYP3A4ACP3MEN1
SCHEMBL29454486 0.83 MEN1 (0.59) CXCL8CYP1A2CYP3A4ACP3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949658-B2 Process for producing optically active α-amino acid and optically active α-amino acid amide MITSUBISHI RAYON CO., LTD. (JP) 2005-09-27 US claimed
US-20030171597-A1 Process for producing optically active alpha-amino acid and optically active alpha-amino acid amine MITSUBISHI RAYON CO., LTD. (JP) 2003-09-11 US claimed
EP-1300392-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALPHA-AMINO ACID AND OPTICALLY ACTIVE ALPHA-AMINO ACID AMIDE Mitsubishi Rayon Co., Ltd. (JP) 2003-04-09 EP claimed
US-20180312463-A1 Synthesis of Cyclohexane Carboxamide Derivatives Useful as Sensates in Consumer Products PROCTER & GAMBLE (US) 2018-11-01 US disclosed
WO-2017070418-A1 SYNTHESIS OF CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2017-04-27 WO disclosed
US-20170057911-A1 SYNTHESIS OF ARYL CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS PROCTER & GAMBLE (US) 2017-03-02 US disclosed
US-20170057911-A1 SYNTHESIS OF ARYL CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS PROCTER & GAMBLE (US) 2017-03-02 US disclosed
US-6949658-B2 Process for producing optically active α-amino acid and optically active α-amino acid amide MITSUBISHI RAYON CO., LTD. (JP) 2005-09-27 US disclosed
US-20030171597-A1 Process for producing optically active alpha-amino acid and optically active alpha-amino acid amine MITSUBISHI RAYON CO., LTD. (JP) 2003-09-11 US disclosed
EP-1300392-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALPHA-AMINO ACID AND OPTICALLY ACTIVE ALPHA-AMINO ACID AMIDE Mitsubishi Rayon Co., Ltd. (JP) 2003-04-09 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 (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-20030171597-A1 Process for producing optically active alpha-amino acid and optically active alpha-amino acid amine AADAT, BCAT1, BCAT2 CXCL8 3976/4885CYP1A2 1627/4885CYP3A4 2612/4885
US-20180312463-A1 Synthesis of Cyclohexane Carboxamide Derivatives Useful as Sensates in Consumer Products SRM, ACMSD, CUTA CXCL8 3413/4885CYP1A2 697/4885CYP3A4 858/4885
US-20170057911-A1 SYNTHESIS OF ARYL CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS CUTA, ACMSD, SRM CXCL8 3795/4885CYP1A2 494/4885CYP3A4 956/4885

“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.