SCHEMBL828330

SCHEMBL828330

CC(C)c1nc2c(C(=O)NCC3CCN(CC4CCN(C(=O)OC(C)(C)C)CC4)CC3)cccc2[nH]1

nearest known ligand 0.85

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 15/20 0.85
HTR3A P46098 13/20 0.85
PARP1 P09874 4/20 0.52
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL828868 0.95 HTR3A (0.76) HTR4HTR3APARP1KDM4EPKM
Felcisetrag SCHEMBL390795 0.92 HTR4 (1.00) HTR4HTR3A
Felcisetrag SCHEMBL4361880 0.91 HTR4 (0.98) HTR4HTR3A
SCHEMBL828678 0.89 HTR4 (0.67) HTR4HTR3APARP1KDM4EPKM
SCHEMBL1724211 0.88 HTR4 (0.87) HTR4HTR3APARP1
SCHEMBL828734 0.88 HTR4 (0.84) HTR4HTR3APARP1
SCHEMBL828983 0.86 HTR4 (0.82) HTR4HTR3APARP1
SCHEMBL27850731 0.86 HTR4 (0.82) HTR4HTR3APARP1
SCHEMBL29397319 0.86 HTR4 (0.82) HTR4HTR3APARP1
SCHEMBL827475 0.85 HTR4 (0.86) HTR4HTR3APARP1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220274957-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-09-01 US disclosed
US-11254655-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-02-22 US disclosed
US-20200283408-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-09-10 US disclosed
US-10696656-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-06-30 US disclosed
US-20190152951-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-05-23 US disclosed
US-10233172-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-03-19 US disclosed
US-20180237420-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-08-23 US disclosed
US-9975877-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-05-22 US disclosed
US-20170081313-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-03-23 US disclosed
US-9428489-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-08-30 US disclosed
US-20150183761-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-07-02 US disclosed
US-20130273568-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2013-10-17 US disclosed
US-8143279-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2012-03-27 US disclosed
EP-1899324-B1 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE INC (US) 2011-11-30 EP disclosed
US-7759363-B2 Benzimidazole-carboxamide compounds as 5-HT4, receptor agonists THERAVANCE, INC. (US) 2010-07-20 US disclosed
US-20090209582-A1 Benzimidazole-carboxamide compounds as 5-ht4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-08-20 US disclosed
EP-2074259-A2 METHOD OF PRODUCING ABSORBENT SHEET WITH INCREASED WET/DRY CD TENSILE RATIO Georgia-Pacific Consumer Products LP (US) 2009-07-01 EP disclosed
WO-2008045770-A2 METHOD OF PRODUCING ABSORBENT SHEET WITH INCREASED WET/DRY CD TENSILE RATIO GEORGIA-PACIFIC CONSUMER PRODUCTS LP (US) 2008-04-17 WO disclosed
US-20060270652-A1 Benzimidazole-carboxamide compounds as 5-HT4, receptor agonists THERAVANCE, INC. 2006-11-30 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 (11 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-10233172-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR1A, HTR5A HTR4 1/4885HTR3A 18/4885PARP1 1181/4885
US-20180237420-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A HTR4 1/4885HTR3A 18/4885PARP1 1181/4885
US-20200283408-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A HTR4 1/4885HTR3A 18/4885PARP1 1181/4885
US-20090209582-A1 Benzimidazole-carboxamide compounds as 5-ht4 receptor agonists HTR4, HTR1A, HTR5A HTR4 1/4885HTR3A 19/4885PARP1 1125/4885
US-11254655-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR1A, HTR5A HTR4 1/4885HTR3A 18/4885PARP1 1181/4885
US-10696656-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR1A, HTR5A HTR4 1/4885HTR3A 18/4885PARP1 1181/4885
US-20220274957-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A HTR4 1/4885HTR3A 18/4885PARP1 1181/4885
US-20060270652-A1 Benzimidazole-carboxamide compounds as 5-HT4, receptor agonists HTR4, HTR1A, HTR5A HTR4 1/4885HTR3A 18/4885PARP1 1267/4885
US-20190152951-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A HTR4 1/4885HTR3A 18/4885PARP1 1181/4885
US-20150183761-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A HTR4 1/4885HTR3A 18/4885PARP1 1181/4885
US-20170081313-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A HTR4 1/4885HTR3A 18/4885PARP1 1181/4885

“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.