SCHEMBL1540139

SCHEMBL1540139

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
RAB9A P51151 1/20 0.41
CHRM2 P08172 3/20 0.41
ADRA2A P08913 3/20 0.41
CHRM1 P11229 3/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
OPRM1 P35372 3/20 0.41
DRD3 P35462 3/20 0.41
SLC6A3 Q01959 3/20 0.41
CYP2D6 P10635 3/20 0.41
LMNA P02545 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
ADRA2B P18089 2/20 0.41
CHRM3 P20309 2/20 0.41
HRH2 P25021 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 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
SCHEMBL1540140 0.82 MAOA (0.51) MAOAMAOBRAB9ACHRM2ADRA2A
SCHEMBL13503949 0.80 MAOA (0.41) MAOAMAOBRAB9ACHRM2ADRA2A
SCHEMBL1540523 0.80 HTR2A (0.47) MAOAMAOBCHRM2SLC6A2SLC6A4
SCHEMBL9951305 0.80 HTR2A (0.47) MAOAMAOBCHRM2SLC6A2SLC6A4
SCHEMBL1541273 0.80 HTR2A (0.47) MAOAMAOBCHRM2SLC6A2SLC6A4
SCHEMBL13503677 0.78 MAOA (0.43) MAOAMAOBRAB9ACHRM2ADRA2A
SCHEMBL1540194 0.76 MAOA (0.42) MAOAMAOBHTR2AHRH1MAPK1
SCHEMBL6024362 0.70 MAOA (0.53) MAOAMAOBRAB9ASLC6A4LMNA
SCHEMBL1539928 0.70 MAOA (0.53) MAOAMAOBRAB9ASLC6A4LMNA
SCHEMBL1540360 0.70 MAOA (0.46) MAOAMAOBSLC6A4HTR2AHRH1

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 2943/4885RAB9A 4345/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885RAB9A 4345/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885RAB9A 4345/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885RAB9A 4345/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885RAB9A 4345/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 MAOA 3900/4885MAOB 3134/4885RAB9A 3654/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885RAB9A 4345/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885RAB9A 4345/4885
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 3740/4885RAB9A 3670/4885

“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.