SCHEMBL1645774

SCHEMBL1645774

NC1CCCC1c1ccc(Br)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.63
MAOB P27338 4/20 0.63
KCNH2 Q12809 2/20 0.63
RCOR1 Q9UKL0 2/20 0.63
KDM1B Q8NB78 1/20 0.63
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
MAOA P21397 2/20 0.45
GRIA4 P48058 2/20 0.44
GRIA2 P42262 1/20 0.44
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
TAAR1 Q96RJ0 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
SCHEMBL4252967 1.00 KDM1A (0.63) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL4265573 1.00 KDM1A (0.63) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL4608247 0.81 KDM1A (0.39) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL14804306 0.80 KDM1A (0.56) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL26318046 0.80 KDM1A (0.56) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL2141187 0.79 HTR3A (0.46) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL1645757 0.79 KDM1A (0.63) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL7898071 0.79 KDM1A (0.63) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL3717970 0.79 KDM1A (0.63) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL4260479 0.79 GRIA4 (0.45) KDM1AMAOBKCNH2RCOR1KDM1B

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
JP-4666533-B2 2011-04-06 JP claimed
US-7411093-B2 Aminocycloalkanes as DPP-IV inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-08-12 US claimed
EP-1246797-B1 CYCLOPENTYL SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2008-07-23 EP claimed
JP-2008524279-A 2008-07-10 JP claimed
EP-1833782-A1 CYCLOALKYLAMINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-09-19 EP claimed
WO-2006066770-A1 CYCLOALKYLAMINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO claimed
US-20060135512-A1 Aminocycloalkanes as DPP-IV inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-06-22 US claimed
US-6639107-B1 Potentiating glutamate receptor function ELI LILLY AND COMPANY 2003-10-28 US claimed
EP-1246797-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-09 EP claimed
WO-2001042203-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-14 WO claimed
CN-108341774-B Substituted quinolinone inhibitors 首药控股(北京)股份有限公司 2022-07-19 CN disclosed
US-7411093-B2 Aminocycloalkanes as DPP-IV inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-08-12 US disclosed
EP-1246797-B1 CYCLOPENTYL SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2008-07-23 EP disclosed
EP-1833782-A1 CYCLOALKYLAMINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-09-19 EP disclosed
WO-2006066770-A1 CYCLOALKYLAMINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed
EP-1390072-A2 USE OF AN AMPA RECEPTOR POTENTIATOR FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF TYPE 2 DIABETES ELI LILLY AND COMPANY (US) 2004-02-25 EP disclosed
US-6639107-B1 Potentiating glutamate receptor function ELI LILLY AND COMPANY 2003-10-28 US disclosed
WO-2002089848-A2 USE OF AN AMPA RECEPTOR POTENTIATOR FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF TYPE 2 DIABETES ELI LILLY AND COMPANY (US) 2002-11-14 WO disclosed
EP-1246797-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-09 EP disclosed
WO-2001042203-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-14 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 (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-20060135512-A1 Aminocycloalkanes as DPP-IV inhibitors DPP4, DPP7, DPP3 KDM1A 1623/4885MAOB 3713/4885KCNH2 1101/4885

“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.