SCHEMBL967528

SCHEMBL967528

CNC1CCCN(C(C)=O)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
EPHX2 P34913 3/20 0.47
EPHX1 P07099 1/20 0.47
JAK3 P52333 3/20 0.41
JAK2 O60674 2/20 0.41
HTT P42858 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 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
SCHEMBL12849107 1.00 CA1 (0.49) CA1CA2CA12CA9EPHX2
SCHEMBL13064015 1.00 CA1 (0.49) CA1CA2CA12CA9EPHX2
SCHEMBL12225565 0.88 EPHX2 (0.50) EPHX2EPHX1
SCHEMBL961566 0.88 EPHX2 (0.50) EPHX2EPHX1
SCHEMBL12820400 0.88 EPHX2 (0.50) EPHX2EPHX1
SCHEMBL28206408 0.86 CA1 (0.46) CA1CA2CA12CA9EPHX2
SCHEMBL3535134 0.85 CA1 (0.45) CA1CA2CA12CA9EPHX2
SCHEMBL2030025 0.85 CA1 (0.45) CA1CA2CA12CA9EPHX2
SCHEMBL3088177 0.85 CA1 (0.45) CA1CA2CA12CA9EPHX2
SCHEMBL23110169 0.83 CA1 (0.44) CA1CA2CA12CA9EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731981-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-22 US disclosed
WO-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed
WO-2022133064-A1 FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF MENIN-MLL INTERACTION BIOMEA FUSION, INC. (US) 2022-06-23 WO disclosed
US-20220002310-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2022-01-06 US disclosed
WO-2021262596-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2021-12-30 WO disclosed
WO-2021242923-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2021-12-02 WO disclosed
EP-2814828-B9 PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES RES TRIANGLE INST (US) 2020-10-07 EP disclosed
EP-3336090-B1 IRAK4 INHIBITOR AND USE THEREOF BEIJING HANMI PHARMACEUTICAL CO LTD (CN) 2020-07-22 EP disclosed
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 EP disclosed
US-20170362249-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2017-12-21 US disclosed
WO-2006094063-A1 QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2006-09-08 WO disclosed
US-20060199839-A1 Quinolinone compounds as 5-HT4 receptor agonists THERAVANCE, INC. 2006-09-07 US disclosed
WO-2006069125-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS THERAVANCE, INC. (US) 2006-06-29 WO disclosed
US-20060135764-A1 Indazole-carboxamide compounds THERAVANCE, INC. 2006-06-22 US disclosed
WO-2006052889-A2 QUINOLINONE-CARBOXAMIDE COMPOUNDS THERAVANCE, INC. (US) 2006-05-18 WO disclosed
WO-2006052640-A1 5-HT4 RECEPTOR AGONIST COMPOUNDS THERAVANCE, INC. (US) 2006-05-18 WO disclosed
US-20060100236-A1 For therapy of disorder of reduced motility of gastrointestinal tract, chronic constipation, functional dyspepsia, delayed gastric emptying, gastroesophageal reflux disease, gastroparesis, diabetic and iodiopathic gastropathy, post-operative ileus, intestinal pseudo-obstruction, irritable bowel syndrome THERAVANCE, INC. (US) 2006-05-11 US disclosed
US-20060100426-A1 Quinolinone-carboxamide compounds THERAVANCE, INC. 2006-05-11 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
WO-2005080389-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-09-01 WO 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 (8 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-20060199839-A1 Quinolinone compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR1A CA1 4697/4885CA2 4365/4885CA12 4869/4885
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 CA1 4643/4885CA2 4487/4885CA12 4656/4885
US-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 CA1 3738/4885CA2 868/4885CA12 2163/4885
US-20060135764-A1 Indazole-carboxamide compounds HTR4, HTR5A, HTR3B CA1 4252/4885CA2 3377/4885CA12 4781/4885
US-20060100236-A1 For therapy of disorder of reduced motility of gastrointestinal tract, chronic constipation, functional dyspepsia, delayed gastric emptying, gastroesophageal reflux disease, gastroparesis, diabetic and iodiopathic gastropathy, post-operative ileus, intestinal pseudo-obstruction, irritable bowel syndrome GIPR, GPR4, GPR119 CA1 4109/4885CA2 1906/4885CA12 3423/4885
US-20170362249-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CA1 3659/4885CA2 887/4885CA12 2191/4885
US-20220002310-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CA1 3738/4885CA2 868/4885CA12 2163/4885
US-20060100426-A1 Quinolinone-carboxamide compounds HTR4, HTR5A, HTR2C CA1 3912/4885CA2 2979/4885CA12 4611/4885

“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.