SCHEMBL1643791

SCHEMBL1643791

Cc1ccccc1[C@H]1CCCC[C@H]1N

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.47
HTR2C P28335 4/20 0.47
HTR2A P28223 1/20 0.47
HTR2B P41595 1/20 0.47
TAAR1 Q96RJ0 1/20 0.41
NOS1 P29475 2/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
SLC6A4 P31645 1/20 0.39
KDM1B Q8NB78 1/20 0.37
SLC6A9 P48067 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1643784 1.00 KDM1A (0.47) KDM1AHTR2CHTR2AHTR2BTAAR1
SCHEMBL1643782 1.00 KDM1A (0.47) KDM1AHTR2CHTR2AHTR2BTAAR1
SCHEMBL5004304 0.96 KDM1A (0.47) KDM1AHTR2CHTR2AHTR2BTAAR1
SCHEMBL3841365 0.96 KDM1A (0.47) KDM1AHTR2CHTR2AHTR2BTAAR1
SCHEMBL18583628 0.82 KDM1A (0.43) KDM1AHTR2CHTR2AHTR2BTAAR1
SCHEMBL8125269 0.80 HTR2C (0.46) KDM1AHTR2CHTR2AHTR2BNOS1
SCHEMBL7864324 0.79 HTR2C (0.58) KDM1AHTR2CHTR2AHTR2BTAAR1
SCHEMBL7094447 0.79 HTR2C (0.58) KDM1AHTR2CHTR2AHTR2BTAAR1
SCHEMBL7094448 0.79 HTR2C (0.58) KDM1AHTR2CHTR2AHTR2BTAAR1
SCHEMBL1646640 0.78 NOS3 (0.44) KDM1AHTR2CHTR2AHTR2BNOS1

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 11 patents. 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
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
EP-1833782-B1 CYCLOALKYLAMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-04-08 EP disclosed
US-7411093-B2 Aminocycloalkanes as DPP-IV inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-08-12 US 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
US-20060135512-A1 Aminocycloalkanes as DPP-IV inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-06-22 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 (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 1623/4885HTR2C 1770/4885HTR2A 1865/4885

“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.