SCHEMBL3413738

SCHEMBL3413738

CS(=O)(=O)N1CCN(CCN2[C@@H]3C[CH]C[C@@]2(C(N)=O)CC3)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR4 Q13639 6/20 0.34
ALDH1A1 P00352 6/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 3/20 0.32
HTR3A P46098 1/20 0.32
LMNA P02545 1/20 0.31
HTR7 P34969 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL4202290 0.92 MEN1 (0.32) KDM1ATSHRMEN1KMT2AHTR4
SCHEMBL3411672 0.89 HTR7 (0.32) HTR7
SCHEMBL4210058 0.86 HTR4 (0.34) HTR4ALDH1A1KDM4E
SCHEMBL1022505 0.85 HTR4 (0.37) HTR4SMN1; SMN2HTR3A
SCHEMBL1021565 0.85 HTR4 (0.37) HTR4SMN1; SMN2HTR3A
SCHEMBL2980596 0.85 HTR4 (0.37) HTR4SMN1; SMN2HTR3A
SCHEMBL1022503 0.85 HTR4 (0.37) HTR4SMN1; SMN2HTR3A
SCHEMBL5943092 0.84 ALDH1A1 (0.30) ALDH1A1RECQLSMN1; SMN2ATM
SCHEMBL6472185 0.84 KDM1A (0.36) KDM1AHTR4ALDH1A1HTR7
SCHEMBL3214243 0.84 KDM1A (0.36) KDM1AHTR4ALDH1A1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351704-B2 Indazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2008-04-01 US claimed
US-20050197335-A1 1-isopropyl-1H-indazole-3-carboxylic acid {(1S,3R,5R)-8-[2-(4-acetylpiperazin-1-yl)-ethyl]8-azabicyclo[3.2.1]oct-3-yl}amide; improved pharmacokinetic, bioavailability; gastrointestinal disorders: irritable bowel syndrome (IBS), chronic constipation, dyspepsia; CNS behavioral, mood disorder THERAVANCE BIOPHARMA R&D IP, LLC 2005-09-08 US claimed
US-20100261716-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2010-10-14 US disclosed
US-7674908-B2 Indazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2010-03-09 US disclosed
US-20080146807-A1 Indazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-06-19 US disclosed
US-7351704-B2 Indazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2008-04-01 US disclosed
US-20050197335-A1 1-isopropyl-1H-indazole-3-carboxylic acid {(1S,3R,5R)-8-[2-(4-acetylpiperazin-1-yl)-ethyl]8-azabicyclo[3.2.1]oct-3-yl}amide; improved pharmacokinetic, bioavailability; gastrointestinal disorders: irritable bowel syndrome (IBS), chronic constipation, dyspepsia; CNS behavioral, mood disorder THERAVANCE BIOPHARMA R&D IP, LLC 2005-09-08 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 (3 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-20050197335-A1 1-isopropyl-1H-indazole-3-carboxylic acid {(1S,3R,5R)-8-[2-(4-acetylpiperazin-1-yl)-ethyl]8-azabicyclo[3.2.1]oct-3-yl}amide; improved pharmacokinetic, bioavailability; gastrointestinal disorders: irritable bowel syndrome (IBS), chronic constipation, dyspepsia; CNS behavioral, mood disorder HTR4, HTR5A, HTR3C KDM1A 1806/4885TSHR 345/4885MEN1 4199/4885
US-20080146807-A1 Indazole-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR3B KDM1A 2114/4885TSHR 308/4885MEN1 2365/4885
US-20100261716-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR3B KDM1A 2114/4885TSHR 308/4885MEN1 2365/4885

“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.