SCHEMBL3580053

SCHEMBL3580053

NC(=O)C1CCN(CC2CCNCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
CACNA2D1 P54289 1/20 0.44
CACNA1B Q00975 1/20 0.44
CACNB1 Q02641 1/20 0.44
GBA1 P04062 2/20 0.41
GAA P10253 2/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
ACHE P22303 2/20 0.40
HTR4 Q13639 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
CYP2D6 P10635 1/20 0.38
ARG1 P05089 1/20 0.38
ARG2 P78540 1/20 0.38
SMYD3 Q9H7B4 1/20 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
SCHEMBL22359167 0.90 SMN1; SMN2 (0.46) SMN1; SMN2CACNA2D1CACNA1BCACNB1GBA1
SCHEMBL30584851 0.90 SMN1; SMN2 (0.50) SMN1; SMN2CACNA2D1CACNA1BCACNB1GAA
Hydrochloric Acid SCHEMBL30584820 0.89 SMN1; SMN2 (0.49) SMN1; SMN2CACNA2D1CACNA1BCACNB1GAA
SCHEMBL4035398 0.87 SMN1; SMN2 (0.62) SMN1; SMN2GAAJAK2JAK1TYK2
Hydrochloric Acid SCHEMBL27659724 0.85 SMN1; SMN2 (0.60) SMN1; SMN2GAAJAK2JAK1TYK2
SCHEMBL22358971 0.84 GBA1 (0.49) SMN1; SMN2CACNA2D1CACNA1BCACNB1GBA1
SCHEMBL4732821 0.84 SMN1; SMN2 (0.58) SMN1; SMN2GAAJAK2JAK1TYK2
SCHEMBL25134096 0.83 SMN1; SMN2 (0.45) SMN1; SMN2CACNA2D1CACNA1BCACNB1GBA1
Hydrochloric Acid SCHEMBL28764245 0.81 SMN1; SMN2 (0.63) SMN1; SMN2GAAACHEHTR4KDM4E
SCHEMBL1438737 0.79 SMN1; SMN2 (0.53) SMN1; SMN2GBA1GAAJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8377964-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2013-02-19 US disclosed
US-20100249186-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2010-09-30 US 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-1899324-A2 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS Theravance, Inc. (US) 2008-03-19 EP disclosed
WO-2006127815-A2 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2006-11-30 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 SMN1; SMN2 2118/4885CACNA2D1 2079/4885CACNA1B 875/4885
US-20180237420-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A SMN1; SMN2 2118/4885CACNA2D1 2079/4885CACNA1B 875/4885
US-20200283408-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A SMN1; SMN2 2118/4885CACNA2D1 2079/4885CACNA1B 875/4885
US-20090209582-A1 Benzimidazole-carboxamide compounds as 5-ht4 receptor agonists HTR4, HTR1A, HTR5A SMN1; SMN2 2510/4885CACNA2D1 2172/4885CACNA1B 993/4885
US-20100249186-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A SMN1; SMN2 2118/4885CACNA2D1 2079/4885CACNA1B 875/4885
US-11254655-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR1A, HTR5A SMN1; SMN2 2118/4885CACNA2D1 2079/4885CACNA1B 875/4885
US-10696656-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR1A, HTR5A SMN1; SMN2 2118/4885CACNA2D1 2079/4885CACNA1B 875/4885
US-20060270652-A1 Benzimidazole-carboxamide compounds as 5-HT4, receptor agonists HTR4, HTR1A, HTR5A SMN1; SMN2 2098/4885CACNA2D1 1980/4885CACNA1B 927/4885
US-20190152951-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A SMN1; SMN2 2118/4885CACNA2D1 2079/4885CACNA1B 875/4885
US-20150183761-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A SMN1; SMN2 2118/4885CACNA2D1 2079/4885CACNA1B 875/4885
US-20170081313-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A SMN1; SMN2 2118/4885CACNA2D1 2079/4885CACNA1B 875/4885

“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.