SCHEMBL1541071

SCHEMBL1541071

CSc1ccc(-c2ncccc2CN2CCN(c3ccc(C=O)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.54
HTR2A P28223 5/20 0.43
HTR1A P08908 3/20 0.43
MAPT P10636 4/20 0.40
MAPK1 P28482 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TRPV1 Q8NER1 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ATM Q13315 1/20 0.39
HTR6 P50406 3/20 0.39
DRD4 P21917 4/20 0.38
DRD3 P35462 2/20 0.38
METAP1 P53582 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
NFKB1 P19838 2/20 0.38
HIF1A Q16665 2/20 0.38

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 0.87 HTR2A (0.51) HTR7HTR2AHTR1AMAPTMAPK1
SCHEMBL1540119 0.86 DRD4 (0.52) HTR7HTR2AHTR1AMAPTGAA
SCHEMBL1540163 0.86 HTR2A (0.52) HTR7HTR2AHTR1AMAPTALDH1A1
SCHEMBL1540524 0.86 DRD4 (0.54) HTR7HTR2AHTR1AMAPTMAPK1
SCHEMBL1541068 0.86 HTR7 (0.54) HTR7HTR2AHTR1AMAPTMAPK1
SCHEMBL1540612 0.86 HTR2A (0.43) HTR7HTR2AHTR1AMAPTMAPK1
SCHEMBL1539987 0.85 GPR119 (0.43) HTR7HTR2AHTR1AMAPK1ALDH1A1
SCHEMBL1539994 0.83 HTR7 (0.57) HTR7MAPTMAPK1GAAALDH1A1
SCHEMBL1111687 0.78 HTR7 (0.45) HTR7MAPTMAPK1GAAALDH1A1
SCHEMBL1539986 0.76 ALDH1A1 (0.42) HTR7MAPTMAPK1GAAALDH1A1

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
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
WO-2005049593-A2 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 (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 HTR7 2871/4885HTR2A 3715/4885HTR1A 3987/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 HTR7 2871/4885HTR2A 3715/4885HTR1A 3987/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 HTR7 2871/4885HTR2A 3715/4885HTR1A 3987/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 HTR7 2871/4885HTR2A 3715/4885HTR1A 3987/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 HTR7 2871/4885HTR2A 3715/4885HTR1A 3987/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 HTR7 3227/4885HTR2A 4096/4885HTR1A 4483/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 HTR7 2871/4885HTR2A 3715/4885HTR1A 3987/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 HTR7 2871/4885HTR2A 3715/4885HTR1A 3987/4885
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 HTR7 3514/4885HTR2A 4231/4885HTR1A 3506/4885

“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.