SCHEMBL901971

SCHEMBL901971

C1CCN(N2CCNC2)C1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.32
CHKA P35790 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HRH1 P35367 1/20 0.32
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTR6 P50406 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
SCHEMBL6504685 0.97 CA2 (0.36) CA2CHKAKDM4EHRH1USP2
SCHEMBL3531750 0.97 CA2 (0.36) CA2CHKAKDM4EHRH1USP2
SCHEMBL1513130 0.90 ALDH1A1 (0.43) CA2CHKAKDM4EHRH1USP2
SCHEMBL1256068 0.88 ALDH1A1 (0.37) SMN1; SMN2
SCHEMBL5549254 0.88 HIF1A (0.31) CA2
SCHEMBL4243756 0.88
SCHEMBL232289 0.87
SCHEMBL29883467 0.85 ALDH1A1 (0.39) SMN1; SMN2
SCHEMBL1258379 0.84 CA2 (0.42) CA2CHKAKDM4EHRH1USP2
SCHEMBL336574 0.81 CA2 (0.46) CA2CHKAKDM4EHRH1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894499-A Novel natural sulfur-containing alkaloid and preparation method and application thereof 云南民族大学 2023-04-04 CN claimed
EP-2914578-A1 SALTS WITH TRIHYDROPERFLUOROALKOXYBUTANE SULFONATE OR TRIHYDROPERFLUOROALKOXYPROPANE SULFONATE ANION Merck Patent GmbH (DE) 2015-09-09 EP claimed
EP-2731954-A1 COMPOUNDS CONTAINING ALKYL-ALKOXY-CYANO-BORATE ANIONS Merck Patent GmbH (DE) 2014-05-21 EP claimed
EP-2731955-A1 COMPOUNDS CONTAINING ALKYL-CYANO-BORATE OR ALKYL-CYANO-FLUOROBORATE ANIONS Merck Patent GmbH (DE) 2014-05-21 EP claimed
WO-2014067603-A1 SALTS WITH TRIHYDROPERFLUOROALKOXYBUTANE SULFONATE OR TRIHYDROPERFLUOROALKOXYPROPANE SULFONATE ANION MERCK PATENT GMBH (DE) 2014-05-08 WO claimed
EP-2621934-A1 ELECTROLYTE FORMULATIONS CONTAINING CYANO-ALKOXY-BORATE ANIONS Merck Patent GmbH (DE) 2013-08-07 EP claimed
EP-2621939-A1 FUNCTIONALIZED FLUOROALKYL FLUOROPHOSPHATE SALTS Merck Patent GmbH (DE) 2013-08-07 EP claimed
WO-2013010640-A1 COMPOUNDS CONTAINING ALKYL-ALKOXY-CYANO-BORATE ANIONS MERCK PATENT GMBH (DE) 2013-01-24 WO claimed
WO-2013010641-A1 COMPOUNDS CONTAINING ALKYL-CYANO-BORATE OR ALKYL-CYANO-FLUOROBORATE ANIONS MERCK PATENT GMBH (DE) 2013-01-24 WO claimed
WO-2012163490-A1 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2012-12-06 WO claimed
EP-1902035-A1 METHOD FOR THE PRODUCTION OF ONIUM ALKYL SULFITES Merck Patent GmbH (DE) 2008-03-26 EP claimed
EP-1902004-A2 ONIUM-ALKYLSULFONATE PRODUCTION METHOD Merck Patent GmbH (DE) 2008-03-26 EP claimed
US-20070249691-A1 Mercaptoimidazoles as Ccr2 Receptor Antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 US claimed
EP-1824827-A1 METHOD FOR PRODUCING ONIUM SALTS COMPRISING ALKYL ANIONS OR ARYL SULFONATE ANIONS OR ALKYL ANIONS OR ARYL CARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT Merck Patent GmbH (DE) 2007-08-29 EP claimed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 WO claimed
EP-1768962-A1 METHOD FOR PRODUCING ONIUM SALTS WITH A LOW CHLORIDE CONTENT MERCK PATENT GmbH (DE) 2007-04-04 EP claimed
WO-2007006388-A1 METHOD FOR THE PRODUCTION OF ONIUM ALKYL SULFITES MERCK PATENT GMBH (DE) 2007-01-18 WO claimed
WO-2007006387-A2 ONIUM-ALKYLSULFONATE PRODUCTION METHOD MERCK PATENT GMBH (DE) 2007-01-18 WO claimed
WO-2006063656-A1 METHOD FOR PRODUCING ONIUM SALTS COMPRISING ALKYL ANIONS OR ARYL SULFONATE ANIONS OR ALKYL ANIONS OR ARYL CARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT MERCK PATENT GMBH (DE) 2006-06-22 WO claimed
WO-2006007912-A1 METHOD FOR PRODUCING ONIUM SALTS WITH A LOW CHLORIDE CONTENT MERCK PATENT GMBH (DE) 2006-01-26 WO claimed

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

For each of this compound's patents that has machine-readable text (1 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-20070249691-A1 Mercaptoimidazoles as Ccr2 Receptor Antagonists CCR2, CCR1, CCR5 CA2 3069/4885CHKA 945/4885KDM4E 3895/4885

“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.