SCHEMBL2017184

SCHEMBL2017184

Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CC2CNCCN32)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.45
PKM P14618 1/20 0.44
HTR2C P28335 4/20 0.44
HTR6 P50406 3/20 0.44
HTR2A P28223 2/20 0.41
HTR2B P41595 2/20 0.41
ESR1 P03372 1/20 0.40
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GHSR Q92847 1/20 0.40

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
SCHEMBL2015962 0.92 HTR2C (0.41) BRD4PKMHTR2CHTR6HTR2A
SCHEMBL2015014 0.90 SMN1; SMN2 (0.52) BRD4PKMHTR2CHTR6HTR2B
SCHEMBL2017386 0.90 HTR2C (0.47) PKMHTR2CHTR6HTR2AHTR2B
SCHEMBL2015259 0.90 HTR6 (0.45) BRD4HTR2CHTR6HTR2AHTR2B
SCHEMBL2017668 0.90 BRD4 (0.48) BRD4PKMHTR2CHTR6HTR2A
SCHEMBL692281 0.90 HTR6 (0.49) PKMHTR2CHTR6HTR2AHTR2B
SCHEMBL2018298 0.89 BRD4 (0.48) BRD4HTR2CHTR6HTR2AHTR2B
SCHEMBL2014922 0.88 MEN1 (0.44) PKMHTR2CHTR6HTR2AHTR2B
SCHEMBL2016961 0.86 PKM (0.52) BRD4PKMHTR2CHTR6HTR2A
SCHEMBL691881 0.85 BRD4 (0.47) BRD4PKMHTR2CHTR6HTR2A

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 BRD4 523/4885PKM 1282/4885HTR2C 8/4885
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D BRD4 523/4885PKM 1282/4885HTR2C 8/4885
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D BRD4 523/4885PKM 1282/4885HTR2C 8/4885
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D BRD4 523/4885PKM 1282/4885HTR2C 8/4885
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D BRD4 523/4885PKM 1282/4885HTR2C 8/4885

“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.