SCHEMBL1540118

SCHEMBL1540118

O=[C]c1ccc(N2CCN(Cc3cccnc3-c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 13/20 0.52
DRD3 P35462 11/20 0.52
DRD2 P14416 11/20 0.52
HTR2A P28223 2/20 0.52
HTR1A P08908 2/20 0.52
ADRA1A P35348 2/20 0.52
ADRA1B P35368 2/20 0.52
CACNA1F O60840 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADRA2A P08913 1/20 0.52
CYP2D6 P10635 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
NFKB1 P19838 1/20 0.52
HTR2C P28335 1/20 0.52
HTR7 P34969 1/20 0.52
HTR2B P41595 1/20 0.52

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
SCHEMBL1540268 0.90 HTR2A (0.51) DRD4DRD3DRD2HTR2AHTR1A
SCHEMBL1540160 0.89 HTR2A (0.52) DRD4DRD3DRD2HTR2AHTR1A
SCHEMBL1540522 0.86 DRD4 (0.54) DRD4DRD3DRD2HTR2ATSHR
SCHEMBL1540609 0.86 HTR2A (0.41) DRD4DRD3DRD2HTR2AHTR1A
SCHEMBL1541068 0.86 HTR7 (0.54) DRD4DRD3DRD2HTR2AHTR1A
SCHEMBL1539983 0.85 GPR119 (0.43) DRD4DRD3DRD2HTR2AHTR1A
SCHEMBL1540119 0.85 DRD4 (0.52) DRD4DRD3DRD2HTR2AHTR1A
SCHEMBL1540287 0.82 BCL2 (0.60) DRD4HTR7KDM4EALDH1A1MAPT
SCHEMBL1540109 0.78 KDM4E (0.45) DRD4DRD3DRD2HTR2AHTR1A
SCHEMBL1540120 0.78 KDM4E (0.45) DRD4DRD3DRD2HTR2AHTR1A

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 28 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
CN-1906183-B N-acylsulfonamide apoptosis promoters ABBOTT LAB 2012-06-20 CN disclosed
US-8173811-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2012-05-08 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
CN-1906183-A N-acylsulfonamide apoptosis promoters ABBOTT LAB (US) 2007-01-31 CN 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
EP-1685119-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2006-08-02 EP 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
WO-2005049593-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO disclosed
WO-2005049594-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 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 (7 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 DRD4 4177/4885DRD3 4741/4885DRD2 4700/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 DRD4 4177/4885DRD3 4741/4885DRD2 4700/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 DRD4 4177/4885DRD3 4741/4885DRD2 4700/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 DRD4 4177/4885DRD3 4741/4885DRD2 4700/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 DRD4 4545/4885DRD3 4777/4885DRD2 4734/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 DRD4 4177/4885DRD3 4741/4885DRD2 4700/4885
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 DRD4 4360/4885DRD3 4628/4885DRD2 4614/4885

“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.