SCHEMBL3409724

SCHEMBL3409724

CN(CCN1[C@@H]2C[CH]C[C@@]1(C(N)=O)CC2)[C@@H]1CCN(S(C)(=O)=O)C1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
POLB P06746 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
SCHEMBL6021853 1.00 KMT2A (0.36) KMT2AJAK2JAK1POLB
SCHEMBL3414453 0.94 KMT2A (0.42) KMT2APOLB
SCHEMBL3409716 0.84
SCHEMBL3411842 0.84
SCHEMBL4198691 0.81 POLB (0.31) POLB
SCHEMBL3411830 0.81 KMT2A (0.33) KMT2A
SCHEMBL4206252 0.80 JAK2 (0.30) JAK2JAK1
SCHEMBL4206254 0.80 JAK2 (0.30) JAK2JAK1
SCHEMBL5047855 0.79 KDM4E (0.30)
SCHEMBL3410149 0.79 KDM4E (0.30)

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 KMT2A 2249/4885JAK2 3109/4885JAK1 3019/4885
US-20080146807-A1 Indazole-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR3B KMT2A 2306/4885JAK2 1023/4885JAK1 1841/4885
US-20100261716-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR3B KMT2A 2306/4885JAK2 1023/4885JAK1 1841/4885

“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.