SCHEMBL588076

SCHEMBL588076

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
SCHEMBL588409 1.00 IDO1 (0.59) IDO1TDO2ADRB2SCN4ADPP4
SCHEMBL587761 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101356162-A Optically active carbamates, process for preparation thereof and use thereof as pharmaceutical intermediates EGIS GYOGYSZERGYAR NYILVANOSAN (HU) 2009-01-28 CN 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
EP-3548034-A1 BROAD-SPECTRUM INHIBITORS OF FILOVIRUSES Microbiotix, Inc. (US) 2019-10-09 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-2429530-B1 (S)-MECLIZINE FOR TREATING ISCHAEMIA-REPERFUSION INJURY MASSACHUSETTS GEN HOSPITAL (US) 2018-11-07 EP disclosed
WO-2018106667-A1 BROAD-SPECTRUM INHIBITORS OF FILOVIRUSES MICROBIOTIX, INC. (US) 2018-06-14 WO disclosed
US-20180071279-A1 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE AND ISCHEMIC DISORDERS THE GENERAL HOSPITAL CORPORATION 2018-03-15 US disclosed
US-20160324850-A1 Methods and Compositions for Treating Degenerative and Ischemic Disorders THE GENERAL HOSPITAL CORPORATION 2016-11-10 US disclosed
US-9399032-B2 Methods and compositions for treating degenerative and ischemic disorders THE GENERAL HOSPITAL CORPORATION (US) 2016-07-26 US disclosed
US-20110184174-A1 Processes for the Synthesis of Levocetirizine and Intermediates for Use Therein CIPLA LIMITED (IN) 2011-07-28 US disclosed
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 disclosed
WO-2010132821-A2 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE AND ISCHEMIC DISORDERS THE GENERAL HOSPITAL CORPORATION (US) 2010-11-18 WO disclosed
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 disclosed
WO-2009057133-A2 A PROCESS FOR THE SYNTHESIS OF 2-[2-[4-[(4-CHLOROPHENYL)PHENYL METHYL]-1-PIPERAZINYL] ETHOXY ACETIC ACID GLENMARK GENERICS LIMITED (IN) 2009-05-07 WO disclosed
CN-101356162-A Optically active carbamates, process for preparation thereof and use thereof as pharmaceutical intermediates EGIS GYOGYSZERGYAR NYILVANOSAN (HU) 2009-01-28 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20110184174-A1 Processes for the Synthesis of Levocetirizine and Intermediates for Use Therein CYP3A5, CYP4A11, IL5 IDO1 296/4885TDO2 513/4885ADRB2 91/4885
US-20180071279-A1 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE AND ISCHEMIC DISORDERS PINK1, PC, PCK2 IDO1 1083/4885TDO2 2057/4885ADRB2 1359/4885
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
US-20160324850-A1 Methods and Compositions for Treating Degenerative and Ischemic Disorders PINK1, PC, PCK2 IDO1 1083/4885TDO2 2057/4885ADRB2 1359/4885

“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.