SCHEMBL839768

SCHEMBL839768

[CH2]Cc1cccc(I)c1I

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
IDO1 P14902 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
SCHEMBL839724 0.79
SCHEMBL283558 0.77 TAAR1 (0.39) TAAR1IDO1
SCHEMBL26586444 0.75 TAAR1 (0.38) TAAR1IDO1
SCHEMBL4902607 0.75 TAAR1 (0.48) TAAR1IDO1
SCHEMBL11741449 0.75 APOBEC3G (0.39) TAAR1IDO1
SCHEMBL28446795 0.75 IDO1 (0.41) TAAR1IDO1
SCHEMBL13019656 0.75 GABRA1 (0.48) TAAR1IDO1
SCHEMBL14824924 0.75 GABRA1 (0.48) TAAR1IDO1
SCHEMBL28446797 0.73 CYP1A2 (0.45) TAAR1IDO1
SCHEMBL22288171 0.71 TAAR1 (0.40) TAAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1493819-B1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER UBE INDUSTRIES (JP) 2014-11-12 EP disclosed
CN-101248184-B Process for production of optically active (S or R)-a-amino acid or optically active (S or R)-a -amino acid ester UBE INDUSTRIES 2013-01-16 CN disclosed
US-8143052-B2 Process for preparing optically active (S or R)-α amino acid and (R or S)-α amino acid ester in one phase organic reaction medium UBE INDUSTRIES, LTD. (JP) 2012-03-27 US disclosed
US-7915019-B2 Processes for preparing optically active (S or R)-β-amino acid and optically active (R or S)-β-amino acid ester, and β-amino acid 2-alkoxyethyl ester and optically active (S or R)-β amino acid 2-alkoxyethyl ester UBE INDUSTRIES, LTD. (JP) 2011-03-29 US disclosed
EP-1840218-B1 Process for production of optically active (S)- or (R)-beta-amino acids and optically active (R)- or (S)-beta -amino acid esters, and optically active (S)- or (R)-2-alkoxyethyl esters of beta-amino acids. UBE INDUSTRIES (JP) 2011-02-23 EP disclosed
US-20090117626-A1 Process for preparing carboxylic acid using surfactant-modified enzyme UBE INDUSTRIES, LTD. (JP) 2009-05-07 US disclosed
US-20090042260-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE (S OR R)-ALPHA-AMINO ACID AND OPTICALLY ACTIVE (R OR S)-ALPHA-AMINO ACID ESTER UBE INDUSTRIES, LTD. (JP) 2009-02-12 US disclosed
US-7449325-B2 Process for enzymatically producing either optically active N-substituted β-amino acids or esters thereof or optically active N-substituted 2-homopipecolic acids or esters thereof UBE INDUSTRIES, LTD. (JP) 2008-11-11 US disclosed
CN-101248184-A Process for production of optically active (S or R)-a-amino acid or optically active (S or R)-a -amino acid ester UBE INDUSTRIES (JP) 2008-08-20 CN disclosed
EP-1942193-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE (S OR R)-a-AMINO ACID OR OPTICALLY ACTIVE (S OR R)-a -AMINO ACID ESTER Ube Industries, Ltd. (JP) 2008-07-09 EP disclosed
US-20080038785-A1 Processes For Preparing Optically Active (S Or R-)-Beta-Amino Acid And Optically Active (R Or S)-Beta-Amino Acid Ester, And Beta-Amino Acid 2-Alkoxyethyl Ester And Optically Active (S Or R)-Beta Amino Acid 2-Alkoxyethyl Ester UBE INDUSTRIES, LTD. (JP) 2008-02-14 US disclosed
EP-1887086-A1 PROCESS FOR PRODUCTION OF CARBOXYLIC ACID USING SURFACTANT-MODIFYING ENZYME Ube Industries, Ltd. (JP) 2008-02-13 EP disclosed
EP-1840218-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE (S)- OR (R)- BETA-AMINO ACIDS AND OPTICALLY ACTIVE (R)- OR (S)-BETA -AMINO ACID ESTERS, 2-ALKOXYETHYL ESTERS OF -AMINO ACIDS, AND OPTICALLY ACITVE (S)- OR (R)-2-ALKOXYETHYL ESTERS OF -AMINO ACIDS Ube Industries, Ltd. (JP) 2007-10-03 EP disclosed
US-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester UBE INDUSTRIES, LTD. (JP) 2005-08-04 US disclosed
EP-1493819-A1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER Ube Industries, Ltd. (JP) 2005-01-05 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 (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-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester CYP8B1, SRR, HM13 TAAR1 1576/4885IDO1 2370/4885

“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.