SCHEMBL228926

SCHEMBL228926

CC(C)(N)Cc1ccc(N)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.67
HTR2A P28223 1/20 0.67
SLC6A4 P31645 1/20 0.67
HRH1 P35367 1/20 0.67
HTR2B P41595 1/20 0.67
CHRNA4 P43681 1/20 0.67
SLC6A3 Q01959 1/20 0.67
TAAR1 Q96RJ0 1/20 0.65
GFER P55789 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.48
FDPS P14324 1/20 0.43
MAOB P27338 4/20 0.42
MAOA P21397 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42

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 SCHEMBL5831539 0.97 SLC6A2 (0.64) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL5708352 0.97 SLC6A2 (0.64) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL5079223 0.84 GFER (0.50) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL10875275 0.83 HTR2A (0.59) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL10891421 0.82 SLC6A2 (0.64) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL562858 0.82 SLC6A2 (0.64) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL564834 0.81 SLC6A2 (0.63) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL22591635 0.81 ALDH1A1 (0.52) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL861221 0.81 ESR1 (0.61) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL25342534 0.80 SLC6A2 (0.61) SLC6A2HTR2ASLC6A4HRH1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
EP-1747208-B1 NOVEL SUSTAINED-ACTION BRONCHODILATING AGENTS FOR USE IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2013-09-25 EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120071654-A1 ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC. (US) 2012-03-22 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7994165-B2 Aryl aniline derivatives as β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2011-08-09 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
EP-1706371-B1 ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2011-04-06 EP disclosed
US-7745621-B2 Long acting bronchodilators for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-29 US disclosed
US-20100087410-A1 ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC. (US) 2010-04-08 US disclosed
EP-0757674-A1 SUBSTITUTED SULFONAMIDES AS SELECTIVE $g(b) 3? AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY Merck & Co., Inc. (US) 1997-02-12 EP disclosed
US-5561142-A Substituted sulfonamides as selective β3 agonists for the treatment of diabetes and obesity MERCK & CO., INC. (US) 1996-10-01 US disclosed
US-5541197-A Substituted sulfonamides as selective β3 agonists for the treatment of diabetes and obesity MERCK & CO., INC. (US) 1996-07-30 US disclosed
WO-1995029159-A1 SUBSTITUTED SULFONAMIDES AS SELECTIVE β3 AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY MERCK & CO., INC. (US) 1995-11-02 WO disclosed
US-4894219-A ADRENERGIC BLOCKING AGENTS, ANALYZING UNIVERSITY OF FLORIDA (US) 1990-01-16 US disclosed
US-4433137-A MOLDING MATERIALS CIBA-GEIGY CORPORATION (US) 1984-02-21 US disclosed
US-4429110-A HYDROLYTICALLY STABLE MOLDING MATERIALS CIBA-GEIGY CORPORATION (US) 1984-01-31 US disclosed
US-4376125-A Aminobenzlpropranolol and pharmaceutical preparation thereof UNIVERSITY OF VIRGINIA ALUMNI PATENTS FOUNDATION (US) 1983-03-08 US disclosed
US-4024185-A REDUCTION OF AROMATIC DINITRO COMPOUNDS ALLIED CHEMICAL CORPORATION (US) 1977-05-17 US disclosed
US-3776890-A POLYAMIDES FROM 2-(4-AMINOCYCLOHEXYL)-1,1-DIMETHYLETHYLAMINE OR 2-(4-AMINO-PHENYL)-1,1-DIMETHYLETHYLAMINE ALLIED CHEM 1973-12-04 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 (3 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-20120071654-A1 ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A SLC6A2 119/4885HTR2A 46/4885SLC6A4 737/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 SLC6A2 4107/4885HTR2A 1377/4885SLC6A4 3550/4885
US-20100087410-A1 ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A SLC6A2 119/4885HTR2A 46/4885SLC6A4 737/4885

“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.