SCHEMBL1728369

SCHEMBL1728369

NCC1CCN(CC2CCN(C(=O)c3cccs3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.54
▸ ALDH1A1 P00352 5/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HTT P42858 1/20 0.50
▸ CCR5 P51681 1/20 0.50
▸ PABPC1 P11940 1/20 0.49
▸ EIF4H Q15056 1/20 0.49
▸ MAPT P10636 3/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ ABL1 P00519 1/20 0.46
▸ RIN1 Q13671 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL1728366 0.88 SMN1; SMN2 (0.62) GAAALDH1A1SMN1; SMN2HTTCCR5
SCHEMBL19834778 0.79 GAA (0.55) GAAALDH1A1SMN1; SMN2HTTPABPC1
SCHEMBL357539 0.77 GAA (0.68) GAAALDH1A1SMN1; SMN2HTTPABPC1
SCHEMBL12676716 0.76 GAA (0.59) GAAALDH1A1SMN1; SMN2HTTPABPC1
SCHEMBL7233324 0.75 SMN1; SMN2 (0.64) GAAALDH1A1SMN1; SMN2HTTPABPC1
SCHEMBL9001940 0.75 GAA (0.70) GAAALDH1A1SMN1; SMN2HTTPABPC1
SCHEMBL1728849 0.75 CYP2C9 (0.62) ALDH1A1HTTCCR5KDM4EL3MBTL1
SCHEMBL1729358 0.75 CYP2C9 (0.62) GAAALDH1A1CCR5RAB9AKDM4E
SCHEMBL1727519 0.75 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2HTTCCR5NPC1
SCHEMBL1727618 0.74 HTR2A (0.60) GAAALDH1A1KDM4EL3MBTL1POLB

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377964-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2013-02-19 — — US claimed
EP-1899324-B1 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE INC (US) 2011-11-30 — — EP claimed
US-20100249186-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2010-09-30 — — US claimed
US-7759363-B2 Benzimidazole-carboxamide compounds as 5-HT4, receptor agonists THERAVANCE, INC. (US) 2010-07-20 — — US claimed
US-20060270652-A1 Benzimidazole-carboxamide compounds as 5-HT4, receptor agonists THERAVANCE, INC. 2006-11-30 — — US claimed
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-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
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 (10 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 GAA 3284/4885ALDH1A1 1275/4885SMN1; SMN2 2118/4885
US-20180237420-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A GAA 3284/4885ALDH1A1 1275/4885SMN1; SMN2 2118/4885
US-20200283408-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A GAA 3284/4885ALDH1A1 1275/4885SMN1; SMN2 2118/4885
US-20090209582-A1 Benzimidazole-carboxamide compounds as 5-ht4 receptor agonists HTR4, HTR1A, HTR5A GAA 2943/4885ALDH1A1 1458/4885SMN1; SMN2 2510/4885
US-20100249186-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A GAA 3284/4885ALDH1A1 1275/4885SMN1; SMN2 2118/4885
US-11254655-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR1A, HTR5A GAA 3284/4885ALDH1A1 1275/4885SMN1; SMN2 2118/4885
US-10696656-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR1A, HTR5A GAA 3284/4885ALDH1A1 1275/4885SMN1; SMN2 2118/4885
US-20060270652-A1 Benzimidazole-carboxamide compounds as 5-HT4, receptor agonists HTR4, HTR1A, HTR5A GAA 3510/4885ALDH1A1 1216/4885SMN1; SMN2 2098/4885
US-20190152951-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A GAA 3284/4885ALDH1A1 1275/4885SMN1; SMN2 2118/4885
US-20150183761-A1 BENZIMIDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR1A, HTR5A GAA 3284/4885ALDH1A1 1275/4885SMN1; SMN2 2118/4885

“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.

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