SCHEMBL1152702

SCHEMBL1152702

CC(C)(O)[C@H](N)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.46
ADRA2C P18825 1/20 0.46
LMNA P02545 1/20 0.46
HIF1A Q16665 1/20 0.46
KDM4E B2RXH2 1/20 0.46
DPP4 P27487 2/20 0.46
F2 P00734 1/20 0.46
KCNA5 P22460 1/20 0.46
ALDH1A1 P00352 1/20 0.45
AOC3 Q16853 1/20 0.44
PDE2A O00408 1/20 0.42
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
RIPK1 Q13546 1/20 0.41

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
SCHEMBL56490 1.00 ADRA2A (0.46) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL1152705 1.00 ADRA2A (0.46) ADRA2AADRA2CLMNAHIF1AKDM4E
Hydrochloric Acid SCHEMBL56184 0.98 ALDH1A1 (0.48) ADRA2AADRA2CLMNAHIF1AKDM4E
Hydrochloric Acid SCHEMBL57497 0.98 ALDH1A1 (0.48) ADRA2AADRA2CLMNAHIF1AKDM4E
Hydrochloric Acid SCHEMBL27730332 0.98 ALDH1A1 (0.48) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL12549733 0.85 KCNA5 (0.46) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL8761852 0.82 DPP4 (0.52) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL1358135 0.82 DPP4 (0.52) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL8761844 0.82 DPP4 (0.52) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL2763538 0.80 KCNA5 (0.50) ADRA2AADRA2CLMNAHIF1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112601749-B Benzodiazepine derivatives, compositions and methods for treating cognitive impairment 艾吉因生物股份有限公司 2024-03-26 CN disclosed
CN-112601749-A Benzodiazepine derivatives, compositions and methods for treating cognitive impairment 艾吉因生物股份有限公司 2021-04-02 CN disclosed
US-20200048268-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-13 US disclosed
CN-102036981-B Substituted 4-hydroxypyrimidine-5-carboxamides MERCK SHARP & DOHME 2015-04-08 CN disclosed
EP-2257539-B1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-09-10 EP disclosed
EP-2257539-B1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-09-10 EP disclosed
WO-2014106606-A1 NOVE PHENYL/PYRIDINE SERIES SUBSTITUED BY HYDROXYETHYLAMINO FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2014-07-10 WO disclosed
US-8278304-B2 Substituted 4-hydroxypyrimidine-5-carboxamides MERCK SHARP & DOHME CORP. (US) 2012-10-02 US disclosed
US-8278304-B2 Substituted 4-hydroxypyrimidine-5-carboxamides MERCK SHARP & DOHME CORP. (US) 2012-10-02 US disclosed
US-8278304-B2 Substituted 4-hydroxypyrimidine-5-carboxamides MERCK SHARP & DOHME CORP. (US) 2012-10-02 US disclosed
EP-0942010-B1 Transition metal compounds, catalyst components and catalysts for olefin polymerization, and process for producing olefinic polymer SUMITOMO CHEMICAL CO (JP) 2003-06-18 EP disclosed
US-6500909-B2 CONTAINING NICKEL, PALLADIUM, RHODIUM, RUTHENIUM, OR COBALT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-31 US disclosed
US-6410741-B1 INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-20010027162-A1 Transition metal compound, catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for producing olefinic polymer HIRAHATA WATARU (JP) 2001-10-04 US disclosed
US-6242377-B1 POLYMERIZATION IN PRESENCE OF BISOXAZOLINE WITH NICKEL, COBALT, PALLADIUM, RHODIUM, RUTHENIUM, ALUMINUM AND BORON COMPLEXES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-05 US disclosed
US-6072081-A Optically active bisoxazoline compounds, production and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-06 US disclosed
EP-0942010-A1 Transition metal compounds, catalyst components and catalysts for olefin polymerization, and process for producing olefinic polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-15 EP disclosed
EP-0895992-A2 Copper complexes of optically active bisoxazolines as enantioselective catalysts in cyclopropanation reactions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-10 EP disclosed
US-5801249-A Chiral auxiliaries OXFORD ASYMMETRY INTERNATIONAL PLC (GB) 1998-09-01 US disclosed
WO-1995018112-A1 IMPROVEMENTS IN OR RELATING TO CHIRAL AUXILIARIES OXFORD ASYMMETRY LIMITED (GB) 1995-07-06 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 (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-20200048268-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT GABRA5, GRM5, GABRA1 ADRA2A 174/4885ADRA2C 142/4885LMNA 2588/4885

“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.