SCHEMBL1540101

SCHEMBL1540101

CCN(CC)C[C@@H](N)CSc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.55
MAOB P27338 1/20 0.55
SIGMAR1 Q99720 1/20 0.39
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
SLC2A1 P11166 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
SLC6A4 P31645 4/20 0.37
PLA2G1B P04054 1/20 0.37
PLA2G2A P14555 1/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL19145390 0.87 MAOA (0.51) MAOAMAOBSIGMAR1MTNR1AMTNR1B
SCHEMBL1540481 0.87 MAOA (0.51) MAOAMAOBSIGMAR1MTNR1AMTNR1B
SCHEMBL2952008 0.82 MAOA (0.58) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL25714994 0.81 MAOA (0.45) MAOAMAOBSIGMAR1MTNR1AMTNR1B
SCHEMBL24688181 0.80 MAOA (0.64) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL1539929 0.80 MAOA (0.64) MAOAMAOBMTNR1AMTNR1BALDH1A1
Hydrochloric Acid SCHEMBL31570828 0.79 MAOA (0.44) MAOAMAOBSIGMAR1MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL25227446 0.79 MAOA (0.44) MAOAMAOBSIGMAR1MTNR1AMTNR1B
SCHEMBL1540100 0.79 MAOA (0.46) MAOAMAOBSIGMAR1MTNR1AMTNR1B
SCHEMBL9326763 0.79 TSHR (0.46) MAOAMAOBMTNR1AMTNR1BALDH1A1

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 MAOA 2958/4885MAOB 2943/4885SIGMAR1 3492/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885SIGMAR1 3492/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885SIGMAR1 3492/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885SIGMAR1 3492/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885SIGMAR1 3492/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 MAOA 3900/4885MAOB 3134/4885SIGMAR1 3940/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885SIGMAR1 3492/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885SIGMAR1 3492/4885
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 MAOA 4170/4885MAOB 3740/4885SIGMAR1 2874/4885

“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.