SCHEMBL825222

SCHEMBL825222

CN1CCC(CN2CCC(CN)CC2)CC1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.75
ACHE P22303 1/20 0.44
CHRM5 P08912 1/20 0.40
ADRA2C P18825 1/20 0.40
CACNA2D1 P54289 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNB1 Q02641 1/20 0.39
CACNA1C Q13936 1/20 0.39
CXCR4 P61073 1/20 0.39
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL23015324 0.87 NCF1 (0.52) NCF1ACHECHRM5ADRA2CCXCR4
SCHEMBL55360 0.87
Hydrochloric Acid SCHEMBL29653378 0.85 NCF1 (0.50) NCF1ACHECHRM5ADRA2CCXCR4
SCHEMBL24319476 0.85 NCF1 (0.50) NCF1ACHECHRM5ADRA2CCACNA2D1
Hydrochloric Acid SCHEMBL482088 0.84 NCF1 (0.95) NCF1ACHECXCR4GNAI3GNAO1
SCHEMBL25571706 0.84 NCF1 (0.54) NCF1ACHECHRM5ADRA2CCACNA2D1
Hydrochloric Acid SCHEMBL14311962 0.84 NCF1 (0.95) NCF1ACHECXCR4GNAI3GNAO1
SCHEMBL23173902 0.84 NCF1 (0.54) NCF1ACHECHRM5ADRA2CCACNA2D1
SCHEMBL16900146 0.83 NCF1 (0.50) NCF1ACHECHRM5ADRA2CCACNA2D1
SCHEMBL25074351 0.83 GNAI3 (0.50) NCF1ACHECHRM5ADRA2CCACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8143279-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2012-03-27 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20090209582-A1 Benzimidazole-carboxamide compounds as 5-ht4 receptor agonists HTR4, HTR1A, HTR5A NCF1 2194/4885ACHE 2263/4885CHRM5 126/4885
US-20100249186-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A NCF1 2327/4885ACHE 2175/4885CHRM5 146/4885
US-20150183761-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A NCF1 2327/4885ACHE 2175/4885CHRM5 146/4885
US-20170081313-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A NCF1 2327/4885ACHE 2175/4885CHRM5 146/4885

“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.