SCHEMBL2013658

SCHEMBL2013658

O=C1CC2CNCCN2c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
HTR2B P41595 3/20 0.40
LMNA P02545 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MCOLN3 Q8TDD5 2/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 2/20 0.36
HSPD1 P10809 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN5 P54829 1/20 0.36

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
SCHEMBL2013677 0.84 HPGD (0.43) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL2017386 0.84 HTR2C (0.47) HTR6SMN1; SMN2HTR2AHTR2CHTR2B
SCHEMBL2016267 0.83 HTR2C (0.43) HTR6HTR2AHTR2CHTR2BALDH1A1
SCHEMBL2015259 0.82 HTR6 (0.45) HTR6SMN1; SMN2HTR2AHTR2CHTR2B
SCHEMBL2014452 0.82 MAPT (0.45) HTR6HTR2AHTR2CHTR2BLMNA
SCHEMBL2015962 0.80 HTR2C (0.41) HTR6HTR2AHTR2CHTR2BTDP1
SCHEMBL2015014 0.80 SMN1; SMN2 (0.52) HTR6SMN1; SMN2HTR2CHTR2BLMNA
SCHEMBL2017184 0.80 BRD4 (0.45) HTR6SMN1; SMN2HTR2AHTR2CHTR2B
SCHEMBL2018437 0.80 HTR2C (0.41) HTR6SMN1; SMN2HTR2AHTR2CHTR2B
SCHEMBL2021459 0.79 HTR2C (0.40) HTR6HTR2AHTR2CHTR2B

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
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-05-10 US claimed
EP-3150607-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2017-04-05 EP claimed
EP-2421870-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-03-09 EP claimed
EP-2522671-B1 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC (US) 2016-01-20 EP claimed
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-25 US claimed
US-20130310368-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2013-11-21 US claimed
US-8546377-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2013-10-01 US claimed
EP-2560973-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbvie Inc. (US) 2013-02-27 EP claimed
EP-2522671-A2 Modulators of 5-HT receptors and methods of use thereof Abbott Laboratories (US) 2012-11-14 EP claimed
WO-2011133182-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-10-27 WO claimed
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-06-02 US claimed
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-10-28 US claimed
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-05-10 US disclosed
US-9701679-B2 Modulators of 5-HT receptors and methods of use thereof Abb Vie Deutschland GmbH & Co. KG (DE) 2017-07-11 US disclosed
EP-3150607-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2017-04-05 EP disclosed
EP-2560973-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-11-16 EP disclosed
US-8518933-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2013-08-27 US disclosed
EP-2522671-A2 Modulators of 5-HT receptors and methods of use thereof Abbott Laboratories (US) 2012-11-14 EP disclosed
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-06-02 US disclosed
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-10-28 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 (5 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-20130310368-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D HTR6 17/4885SMN1; SMN2 3397/4885HTR2A 13/4885
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D HTR6 17/4885SMN1; SMN2 3397/4885HTR2A 13/4885
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D HTR6 17/4885SMN1; SMN2 3397/4885HTR2A 13/4885
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D HTR6 17/4885SMN1; SMN2 3397/4885HTR2A 13/4885
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D HTR6 17/4885SMN1; SMN2 3397/4885HTR2A 13/4885

“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.