SCHEMBL588409

SCHEMBL588409

N[C@H](c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.59
TDO2 P48775 2/20 0.59
ADRB2 P07550 1/20 0.52
SCN4A P35499 2/20 0.50
DPP4 P27487 2/20 0.48
F2 P00734 1/20 0.48
TSHR P16473 3/20 0.48
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
CYP1A2 P05177 1/20 0.46
CHRNA7 P36544 1/20 0.46
HIF1A Q16665 2/20 0.45
ADRA2A P08913 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL587761 1.00 IDO1 (0.59) IDO1TDO2ADRB2SCN4ADPP4
SCHEMBL588076 1.00 IDO1 (0.59) IDO1TDO2ADRB2SCN4ADPP4
Hydrochloric Acid SCHEMBL1143208 0.98 IDO1 (0.61) IDO1TDO2ADRB2SCN4ADPP4
Hydrochloric Acid SCHEMBL3998446 0.95 IDO1 (0.55) IDO1TDO2ADRB2SCN4ADPP4
SCHEMBL1732927 0.89 ADRB2 (0.62) IDO1TDO2ADRB2TSHRHIF1A
Hydrochloric Acid SCHEMBL3179658 0.87 ADRB2 (0.59) IDO1TDO2ADRB2TSHRHIF1A
SCHEMBL11480062 0.87 DPP4 (0.61) DPP4F2TSHRHIF1AADRA2A
SCHEMBL11478580 0.87 DPP4 (0.61) DPP4F2TSHRHIF1AADRA2A
Aminodiphenylmethane SCHEMBL7841 0.84 DPP4 (0.65) DPP4F2TSHRHIF1AADRA2A
Aminodiphenylmethane SCHEMBL7719817 0.81 DPP4 (0.55) DPP4F2TSHRHIF1AADRA2A

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110950821-B Preparation method of levocetirizine 湖南九典宏阳制药有限公司 2020-05-15 CN claimed
CN-110950821-A Preparation method of levocetirizine 湖南九典宏阳制药有限公司 2020-04-03 CN claimed
CN-103044355-A Key intermediate for synthesizing levocetirizine and preparation method thereof HUNAN JIUDIAN PHARMACEUTICAL CO LTD 2013-04-17 CN claimed
CN-103044356-A New method for synthesizing levocetirizine and key intermediate thereof HUNAN JIUDIAN PHARMACEUTICAL CO LTD 2013-04-17 CN claimed
US-7851627-B2 Optically active carbamates, process for preparation thereof and use thereof as pharmaceutical intermediates EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2010-12-14 US claimed
US-20090221823-A1 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2009-09-03 US claimed
EP-1963296-A2 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES Egis Gyógyszergyár Nyilvánosan Múködö Részvénytársaság (HU) 2008-09-03 EP claimed
WO-2007066163-A2 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES Egis Gyógyszergyár Nyilvanosan Mukodo Reszvenytarsasag (HU) 2007-06-14 WO claimed
CN-110950821-B Preparation method of levocetirizine 湖南九典宏阳制药有限公司 2020-05-15 CN disclosed
CN-110950821-B Preparation method of levocetirizine 湖南九典宏阳制药有限公司 2020-05-15 CN disclosed
CN-110950821-A Preparation method of levocetirizine 湖南九典宏阳制药有限公司 2020-04-03 CN disclosed
CN-110950821-A Preparation method of levocetirizine 湖南九典宏阳制药有限公司 2020-04-03 CN disclosed
EP-3283622-B1 MUTANT TRANSAMINASES AS WELL AS METHODS AND USES RELATING THERETO HOFFMANN LA ROCHE (CH) 2019-07-03 EP disclosed
US-10322122-B2 Methods and compositions for treating degenerative and ischemic disorders THE GENERAL HOSPITAL CORPORATION (US) 2019-06-18 US disclosed
EP-1963296-A2 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES Egis Gyógyszergyár Nyilvánosan Múködö Részvénytársaság (HU) 2008-09-03 EP disclosed
WO-2007066163-A2 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES Egis Gyógyszergyár Nyilvanosan Mukodo Reszvenytarsasag (HU) 2007-06-14 WO disclosed
CN-1970549-A Chiral benzhydryl piperazine derivatives and its preparation method UNIV GUANGXI (CN) 2007-05-30 CN disclosed
US-5171865-A Process for the preparation of optically active 4-oxo-1-benzopyran-2-carboxylic acid derivatives and intermediates thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1992-12-15 US disclosed
CN-1035827-A The 4-oxo of opticity-1-chromene-2-carboxylic acid derivative and intermediates preparation thereof SANWA KAGAKU KENKYUSHO K K (JP) 1989-09-27 CN disclosed
EP-0331078-A2 Process for the preparation of optically active 4-oxo-1-benzopyran-2-carboxylic acid derivatives and intermediates thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1989-09-06 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-10322122-B2 Methods and compositions for treating degenerative and ischemic disorders PINK1, PC, PCK2 IDO1 1083/4885TDO2 2057/4885ADRB2 1359/4885
US-20090221823-A1 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES HRH4, HRH1, HRH2 IDO1 400/4885TDO2 710/4885ADRB2 457/4885

“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.