SCHEMBL1541501

SCHEMBL1541501

CN1CCN(c2ccccc2CCCN)CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.63
ADRA2C P18825 1/20 0.53
DRD2 P14416 3/20 0.49
DRD3 P35462 3/20 0.49
HTR2A P28223 2/20 0.49
HTR1A P08908 1/20 0.49
DRD4 P21917 1/20 0.49
HTR2C P28335 1/20 0.49
BRD9 Q9H8M2 6/20 0.42
BRD7 Q9NPI1 2/20 0.42
BRD4 O60885 4/20 0.41
BRPF1 P55201 2/20 0.41
CYP2D6 P10635 1/20 0.41
EGFR P00533 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 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
SCHEMBL3633909 0.90 NCF1 (0.67) NCF1ADRA2CDRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL6662186 0.87 NCF1 (0.63) NCF1ADRA2CDRD2DRD3HTR2A
SCHEMBL110927 0.83 NCF1 (0.87) NCF1ADRA2CDRD2DRD3HTR2A
SCHEMBL29505669 0.83 NCF1 (0.87) NCF1ADRA2CDRD2DRD3HTR2A
SCHEMBL13061367 0.81 NCF1 (0.59) NCF1ADRA2CDRD2DRD3HTR2A
SCHEMBL1541573 0.81 LMNA (0.42) NCF1BRD9BRD4LMNAMAPT
SCHEMBL5722525 0.80 NCF1 (0.58) NCF1ADRA2CDRD2DRD3HTR2A
SCHEMBL8361520 0.79 DRD2 (0.72) NCF1ADRA2CDRD2DRD3HTR2A
SCHEMBL8828342 0.79 CYP2D6 (0.55) NCF1DRD2DRD3HTR2AHTR1A
SCHEMBL111234 0.77 NCF1 (1.00) NCF1ADRA2CDRD2DRD3HTR2A

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 26 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
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
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 (8 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 NCF1 287/4885ADRA2C 4241/4885DRD2 4700/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 NCF1 287/4885ADRA2C 4241/4885DRD2 4700/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 NCF1 287/4885ADRA2C 4241/4885DRD2 4700/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 NCF1 287/4885ADRA2C 4241/4885DRD2 4700/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 NCF1 287/4885ADRA2C 4241/4885DRD2 4700/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 NCF1 225/4885ADRA2C 4757/4885DRD2 4734/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 NCF1 287/4885ADRA2C 4241/4885DRD2 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 NCF1 235/4885ADRA2C 4344/4885DRD2 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.