SCHEMBL1205950

SCHEMBL1205950

CN(C)C[C@@H](O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.48
HRH1 P35367 1/20 0.48
DNM1 Q05193 2/20 0.47
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
SLC6A3 Q01959 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
UBE2N P61088 1/20 0.46
TRPA1 O75762 3/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRK1 P41145 1/20 0.46
KCNH2 Q12809 1/20 0.46
ABCB1 P08183 2/20 0.44
MAOA P21397 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL1205954 1.00 HTR2A (0.48) HTR2AHRH1DNM1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL17509983 0.98 SLC6A2 (0.50) HTR2AHRH1DNM1SLC6A2SLC6A4
SCHEMBL11384304 0.84 SLC6A4 (0.54) HTR2AHRH1DNM1SLC6A2SLC6A4
SCHEMBL307907 0.83 NPC1 (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1UBE2N
SCHEMBL20213727 0.82 DNM1 (0.59) HTR2ADNM1SLC6A2SLC6A4SLC6A3
SCHEMBL11675414 0.82 KDM4E (0.42) HTR2ASLC6A2SLC6A4SLC6A3TSHR
SCHEMBL3507237 0.81 HPGD (0.58) HTR2ASLC6A2SLC6A4SLC6A3UBE2N
SCHEMBL27210150 0.81 TRPA1 (0.46) SLC6A2SLC6A4SLC6A3TRPA1MAOA
SCHEMBL9324509 0.80 POLB (0.53) SLC6A2SLC6A4SLC6A3TSHRTRPA1
SCHEMBL1833635 0.79 TRPA1 (0.55) SLC6A2SLC6A4SLC6A3TSHRTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2019-02-14 US disclosed
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2019-02-14 US disclosed
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors GENKYOTEX SUISSE SA (CH) 2018-11-20 US disclosed
US-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-12-07 US disclosed
US-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-12-07 US disclosed
US-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-12-07 US disclosed
EP-3233847-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex Suisse SA (CH) 2017-10-25 EP disclosed
CN-107207489-A It is used as the acylamino- thiadiazoles derivative of nadph oxidase inhibitor 吉恩基奥泰克斯瑞士股份有限公司 2017-09-26 CN disclosed
WO-2016098005-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-06-23 WO disclosed
WO-2016098005-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-06-23 WO disclosed
US-7884117-B2 Protein kinase inhibitors such as (S)-2-(methylamino)-1-phenylethyl 3-(4-fluorobenzamido)-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate, used for the treatment of abnormal cell growth in mammals; antiproliferative agents PFIZER INC. (US) 2011-02-08 US disclosed
US-7884117-B2 Protein kinase inhibitors such as (S)-2-(methylamino)-1-phenylethyl 3-(4-fluorobenzamido)-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate, used for the treatment of abnormal cell growth in mammals; antiproliferative agents PFIZER INC. (US) 2011-02-08 US disclosed
US-7884117-B2 Protein kinase inhibitors such as (S)-2-(methylamino)-1-phenylethyl 3-(4-fluorobenzamido)-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate, used for the treatment of abnormal cell growth in mammals; antiproliferative agents PFIZER INC. (US) 2011-02-08 US disclosed
US-20090318440-A1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER INC. 2009-12-24 US disclosed
US-20090318440-A1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER INC. 2009-12-24 US disclosed
US-20090318440-A1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER INC. 2009-12-24 US disclosed
CN-101346382-A Carbonylamino pyrrolopyrazoles, potent kinase inhibitors PFIZER PROD INC (US) 2009-01-14 CN disclosed
EP-1979356-A2 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS Pfizer Products Inc. (US) 2008-10-15 EP disclosed
WO-2007072153-A2 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2007-06-28 WO disclosed
WO-2007072153-A2 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2007-06-28 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 (4 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-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB HTR2A 4176/4885HRH1 942/4885DNM1 1964/4885
US-20090318440-A1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PAK4, PAK5, PAK3 HTR2A 4830/4885HRH1 3938/4885DNM1 1377/4885
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB HTR2A 4176/4885HRH1 942/4885DNM1 1964/4885
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors NOX1, NOX5, CYBB HTR2A 4176/4885HRH1 942/4885DNM1 1964/4885

“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.