SCHEMBL1540163

SCHEMBL1540163

O=Cc1ccc(N2CCN(Cc3cccnc3-c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.52
HTR1A P08908 2/20 0.52
HTR7 P34969 1/20 0.52
KDM4E B2RXH2 4/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.48
GFER P55789 1/20 0.48
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HSP90AA1 P07900 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
DRD2 P14416 3/20 0.47
DRD4 P21917 3/20 0.47
DRD3 P35462 3/20 0.47
L3MBTL1 Q9Y468 4/20 0.46
POLB P06746 1/20 0.43

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
SCHEMBL1540269 0.90 HTR2A (0.51) HTR2AHTR1AHTR7KDM4ELMNA
SCHEMBL1540119 0.89 DRD4 (0.52) HTR2AHTR1AHTR7KDM4ELMNA
SCHEMBL1540612 0.86 HTR2A (0.43) HTR2AHTR1AHTR7KDM4EALDH1A1
SCHEMBL1541071 0.86 HTR7 (0.54) HTR2AHTR1AHTR7KDM4ELMNA
SCHEMBL1540524 0.86 DRD4 (0.54) HTR2AHTR1AHTR7KDM4ELMNA
SCHEMBL1539987 0.85 GPR119 (0.43) HTR2AHTR1AHTR7ALDH1A1DRD2
SCHEMBL1540160 0.85 HTR2A (0.52) HTR2AHTR1AHTR7KDM4ELMNA
SCHEMBL1540394 0.82 HTR7 (0.60) HTR7ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL1540304 0.80 KMT2A (0.48) HTR2AHTR1AHTR7KDM4ELMNA
Fumaric Acid SCHEMBL7977306 0.77 KDM4E (0.53) HTR2AHTR1AKDM4ELMNAALDH1A1

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 23 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 3715/4885HTR1A 3987/4885HTR7 2871/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 HTR2A 3715/4885HTR1A 3987/4885HTR7 2871/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 HTR2A 3715/4885HTR1A 3987/4885HTR7 2871/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 HTR2A 3715/4885HTR1A 3987/4885HTR7 2871/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 HTR2A 3715/4885HTR1A 3987/4885HTR7 2871/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 HTR2A 4096/4885HTR1A 4483/4885HTR7 3227/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 HTR2A 3715/4885HTR1A 3987/4885HTR7 2871/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 HTR2A 3715/4885HTR1A 3987/4885HTR7 2871/4885
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 4231/4885HTR1A 3506/4885HTR7 3514/4885

“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.