SCHEMBL1222696

SCHEMBL1222696

CC(C)(C)N(CC1CNC1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 5/20 0.36
SLC6A3 Q01959 5/20 0.36
SLC6A1 P30531 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRB2 P47870 2/20 0.33
SLC6A12 P48065 2/20 0.33
SLC6A11 P48066 2/20 0.33
SLC6A13 Q9NSD5 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRR1 P24046 1/20 0.33
GABRA4 P48169 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
KCNH2 Q12809 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30

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 SCHEMBL25406552 0.98 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3SLC6A1GABRA5
SCHEMBL222368 0.86 SLC6A1 (0.49) SLC6A2SLC6A4SLC6A3SLC6A1GABRA5
SCHEMBL3613801 0.86 SLC6A1 (0.49) SLC6A2SLC6A4SLC6A3SLC6A1GABRA5
SCHEMBL222367 0.86 SLC6A1 (0.49) SLC6A2SLC6A4SLC6A3SLC6A1GABRA5
SCHEMBL29244744 0.83 CPN1 (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL1062304 0.83 CPN1 (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL16292529 0.82 ALOX5 (0.39) MEN1HTTKMT2AL3MBTL1
SCHEMBL927784 0.81 GABRA5 (0.39) SLC6A2SLC6A4SLC6A1GABRA5GABRB2
SCHEMBL345833 0.81 SLC6A1 (0.32) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Oxalic Acid SCHEMBL1623722 0.81 CPN1 (0.41) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3995495-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2022-05-11 EP disclosed
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
EP-3649108-A1 2-(4-CHLOROPHENOXY)-N-((1 -(2-(4-CHLOROPHENOXY)ETHYNAZETIDIN-3-YL)METHYL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ATF4 INHIBITORS FOR TREATING CANCER AND OTHER DISEASES GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-05-13 EP disclosed
US-20200140383-A1 2-(4-CHLOROPHENOXY)-N-((1 -(2-(4-CHLOROPHENOXY)ETHYNAZETIDIN-3-YL)METHYL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ATF4 INHIBITORS FOR TREATING CANCER AND OTHER DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-05-07 US disclosed
EP-3626717-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2020-03-25 EP disclosed
WO-2019008507-A1 2-(4-CHLOROPHENOXY)-N-((1 -(2-(4-CHLOROPHENOXY)ETHYNAZETIDIN-3-YL)METHYL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ATF4 INHIBITORS FOR TREATING CANCER AND OTHER DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-10 WO disclosed
US-20180354939-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-12-13 US disclosed
US-10087174-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-10-02 US disclosed
US-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-02-01 US disclosed
EP-2915813-B1 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2017-02-01 EP disclosed
US-20150266867-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2015-09-24 US disclosed
EP-2915813-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-09-09 EP disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 US disclosed
EP-2905283-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-08-12 EP disclosed
WO-2015057659-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-16 US disclosed
US-20140080800-A1 Inhibitors of Histone Deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2014-03-20 US disclosed
US-20140080802-A1 Inhibitors of Histone Deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2014-03-20 US disclosed
US-8217029-B2 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2012-07-10 US disclosed
US-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2011-02-17 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 (11 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-20140080800-A1 Inhibitors of Histone Deacetylase HDAC2, HDAC1, HDAC11 SLC6A2 1855/4885SLC6A4 2139/4885SLC6A3 1308/4885
US-10087174-B2 Selectively substituted quinoline compounds SSB, TLR7, TLR8 SLC6A2 752/4885SLC6A4 1161/4885SLC6A3 1340/4885
US-20150266867-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, MGAM2, BPGM SLC6A2 2920/4885SLC6A4 3760/4885SLC6A3 3918/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B SLC6A2 2930/4885SLC6A4 2441/4885SLC6A3 3589/4885
US-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS OXA1L, XDH, UBE2D3 SLC6A2 4581/4885SLC6A4 4649/4885SLC6A3 3724/4885
US-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 SLC6A2 752/4885SLC6A4 1161/4885SLC6A3 1340/4885
US-20140080802-A1 Inhibitors of Histone Deacetylase HDAC2, HDAC1, HDAC11 SLC6A2 1855/4885SLC6A4 2139/4885SLC6A3 1308/4885
US-20180354939-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 SLC6A2 879/4885SLC6A4 1309/4885SLC6A3 1636/4885
US-20200140383-A1 2-(4-CHLOROPHENOXY)-N-((1 -(2-(4-CHLOROPHENOXY)ETHYNAZETIDIN-3-YL)METHYL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ATF4 INHIBITORS FOR TREATING CANCER AND OTHER DISEASES ATF4, EIF2B4, EIF2B5 SLC6A2 2167/4885SLC6A4 1296/4885SLC6A3 1893/4885
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 SLC6A2 752/4885SLC6A4 1161/4885SLC6A3 1340/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B SLC6A2 2930/4885SLC6A4 2441/4885SLC6A3 3589/4885

“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.