SCHEMBL1645757

SCHEMBL1645757

NC1CCCC1c1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.63
SLC6A2 P23975 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
SLC6A4 P31645 2/20 0.46
HTR2B P41595 2/20 0.46
SLC6A3 Q01959 2/20 0.46
ATM Q13315 1/20 0.39
NR3C2 P08235 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
KCNH2 Q12809 2/20 0.38
MAOB P27338 2/20 0.38
RCOR1 Q9UKL0 2/20 0.38
KDM1B Q8NB78 1/20 0.38
SLC9A1 P19634 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
SCHEMBL4260027 1.00 KDM1A (0.63) KDM1ASLC6A2HTR2AHTR2CSLC6A4
SCHEMBL7898071 1.00 KDM1A (0.63) KDM1ASLC6A2HTR2AHTR2CSLC6A4
SCHEMBL3717970 1.00 KDM1A (0.63) KDM1ASLC6A2HTR2AHTR2CSLC6A4
SCHEMBL17864289 1.00 KDM1A (0.63) KDM1ASLC6A2HTR2AHTR2CSLC6A4
SCHEMBL3717972 1.00 KDM1A (0.63) KDM1ASLC6A2HTR2AHTR2CSLC6A4
SCHEMBL13598557 0.96 KDM1A (0.63) KDM1ASLC6A2HTR2AHTR2CSLC6A4
Pivalamide SCHEMBL8323779 0.84 KDM1A (0.46) KDM1ASLC6A2HTR2AHTR2CSLC6A4
SCHEMBL4607109 0.82 KDM1A (0.43) KDM1ASLC6A4SLC6A3KCNH2MAOB
SCHEMBL4608247 0.81 KDM1A (0.39) KDM1ASLC6A2HTR2CSLC6A3KCNH2
SCHEMBL4606753 0.81 KDM1A (0.42) KDM1AHTR2ANOS3NOS1NOS2

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 32 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
US-9949968-B2 Diarylalkylamine REV-ERB antagonists and their use as medicaments FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2018-04-24 US disclosed
US-20170136009-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-05-18 US disclosed
US-9611245-B2 Diarylalkylamine REV-ERB antagonists and their use as medicaments FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-04-04 US disclosed
US-20160237057-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2016-08-18 US disclosed
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
WO-2006066770-A1 CYCLOALKYLAMINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed
US-20060135512-A1 Aminocycloalkanes as DPP-IV inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-06-22 US disclosed
US-6639107-B1 Potentiating glutamate receptor function ELI LILLY AND COMPANY 2003-10-28 US 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 (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-20060135512-A1 Aminocycloalkanes as DPP-IV inhibitors DPP4, DPP7, DPP3 KDM1A 1623/4885SLC6A2 1799/4885HTR2A 1865/4885
US-20160237057-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS NR1D1, NR1I3, BCOR KDM1A 2494/4885SLC6A2 4645/4885HTR2A 2822/4885
US-20170136009-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS NR1D1, NR1I3, BCOR KDM1A 2297/4885SLC6A2 4638/4885HTR2A 2976/4885

“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.