SCHEMBL1541273

SCHEMBL1541273

CN(C)CC[C@H]([NH])CSc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.47
HRH1 P35367 2/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
BCL2L1 Q07817 1/20 0.40
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
SLC6A4 P31645 2/20 0.37
CHRM2 P08172 1/20 0.37
SLC6A2 P23975 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
SERPINE1 P05121 1/20 0.37
HTR7 P34969 1/20 0.37
FFAR1 O14842 1/20 0.36

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
SCHEMBL9951305 1.00 HTR2A (0.47) HTR2AHRH1MAOAMAOBBCL2L1
SCHEMBL1540523 1.00 HTR2A (0.47) HTR2AHRH1MAOAMAOBBCL2L1
SCHEMBL1540360 0.85 MAOA (0.46) HTR2AHRH1MAOAMAOBBCL2L1
SCHEMBL1539938 0.84 MAOA (0.41) HTR2AHRH1MAOAMAOBBCL2L1
SCHEMBL1540479 0.83 SIGMAR1 (0.44) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL1539981 0.83 MAOA (0.47) HTR2AHRH1MAOAMAOBMTNR1A
SCHEMBL1540194 0.82 MAOA (0.42) HTR2AHRH1MAOAMAOBMTNR1A
SCHEMBL1540503 0.82 MAOA (0.42) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL21982310 0.81 MAOA (0.52) HTR2AHRH1MAOAMAOBBCL2L1
SCHEMBL1540139 0.80 MAOA (0.44) HTR2AHRH1MAOAMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3048098-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS AbbVie Bahamas Limited (BS) 2016-07-27 EP disclosed
EP-1685119-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBVIE BAHAMAS LTD (BS) 2016-03-09 EP disclosed
US-9045444-B2 Apoptosis promoters ABBVIE INC. (US) 2015-06-02 US disclosed
US-20140187531-A1 APOPTOSIS PROMOTERS ABBVIE INC. (US) 2014-07-03 US disclosed
EP-2308812-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBVIE BAHAMAS LTD (BS) 2014-02-26 EP disclosed
US-8614318-B2 Apoptosis promoters ABBVIE INC. (US) 2013-12-24 US disclosed
US-20130190488-A1 APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2013-07-25 US disclosed
US-8354404-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2013-01-15 US disclosed
US-8173811-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2012-05-08 US disclosed
US-8084607-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2011-12-27 US disclosed
EP-2308812-A2 N-acylsulfonamide apoptosis promoters Abbott Laboratories (US) 2011-04-13 EP disclosed
US-20100240715-A1 Apoptosis promoters ABBOTT LABORATORIES 2010-09-23 US disclosed
US-7767684-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2010-08-03 US disclosed
US-20100022773-A1 APOPTOSIS PROMOTERS ABBVIE INC. 2010-01-28 US disclosed
US-7642260-B2 N-acylsulfonamide derivatives; BCL-X1 protein inhibitors; anticarcinogenic agents; bladder cancer; for example, N-(4-(4-((4'-chloro(1,1'-biphenyl)-2-yl)methyl)piperazin-1-yl)benzoyl)-4-(((1R)-3-(dimethylamino)-1-((phenylsulfanyl)methyl)-propyl)amino)-3-nitrobenzenesulfonamide ABBOTT LABORATORIES, INC. (US) 2010-01-05 US disclosed
US-20070072860-A1 N-acylsulfonamide derivatives; BCL-X1 protein inhibitors; anticarcinogenic agents; bladder cancer; for example, N-(4-(4-((4'-chloro(1,1'-biphenyl)-2-yl)methyl)piperazin-1-yl)benzoyl)-4-(((1R)-3-(dimethylamino)-1-((phenylsulfanyl)methyl)-propyl)amino)-3-nitrobenzenesulfonamide ABBOTT LABORATORIES 2007-03-29 US disclosed
US-20070015787-A1 Apoptosis promoters ABBVIE INC. 2007-01-18 US disclosed
US-20060258657-A1 Apoptosis promoters ABBVIE INC. 2006-11-16 US disclosed
US-20060128706-A1 Apoptosis promoters ABBVIE INC. 2006-06-15 US disclosed
US-20050159427-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2005-07-21 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 (9 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-20060128706-A1 Apoptosis promoters BAX, BCL2, API5 HTR2A 3715/4885HRH1 3754/4885MAOA 2958/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 HTR2A 3715/4885HRH1 3754/4885MAOA 2958/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 HTR2A 3715/4885HRH1 3754/4885MAOA 2958/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 HTR2A 3715/4885HRH1 3754/4885MAOA 2958/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 HTR2A 3715/4885HRH1 3754/4885MAOA 2958/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 HTR2A 4096/4885HRH1 3847/4885MAOA 3900/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 HTR2A 3715/4885HRH1 3754/4885MAOA 2958/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 HTR2A 3715/4885HRH1 3754/4885MAOA 2958/4885
US-20070072860-A1 N-acylsulfonamide derivatives; BCL-X1 protein inhibitors; anticarcinogenic agents; bladder cancer; for example, N-(4-(4-((4'-chloro(1,1'-biphenyl)-2-yl)methyl)piperazin-1-yl)benzoyl)-4-(((1R)-3-(dimethylamino)-1-((phenylsulfanyl)methyl)-propyl)amino)-3-nitrobenzenesulfonamide BCL2A1, BAX, BCL2L1 HTR2A 4231/4885HRH1 4812/4885MAOA 4170/4885

“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.