SCHEMBL1645762

SCHEMBL1645762

NC1CCCCC1c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
GRIA4 P48058 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
KDM1A O60341 6/20 0.41
NOS3 P29474 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RX7 Q99572 2/20 0.39
RIPK1 Q13546 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
SCHEMBL1645763 1.00 HTR2A (0.50) HTR2AHTR2CHTR2BGRIA4TAAR1
SCHEMBL4253057 0.96 HTR2A (0.50) HTR2AHTR2CHTR2BGRIA4TAAR1
SCHEMBL1645497 0.96 HTR2A (0.50) HTR2AHTR2CHTR2BGRIA4TAAR1
SCHEMBL6998583 0.81 HTR2C (0.61) HTR2AHTR2CHTR2BTAAR1KDM1A
SCHEMBL3419759 0.81 HTR2C (0.61) HTR2AHTR2CHTR2BTAAR1KDM1A
SCHEMBL3422301 0.81 HTR2C (0.61) HTR2AHTR2CHTR2BTAAR1KDM1A
SCHEMBL3031647 0.81 HTR2C (0.61) HTR2AHTR2CHTR2BTAAR1KDM1A
SCHEMBL1644635 0.79 HTR2A (0.51) HTR2AHTR2CHTR2BTAAR1KDM1A
SCHEMBL1646726 0.79 HTR2C (0.50) HTR2AHTR2CHTR2BKDM1AMEN1
SCHEMBL1646738 0.79 KDM1A (0.68) HTR2AHTR2CHTR2BKDM1ARCOR1

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 HTR2A 1865/4885HTR2C 1770/4885HTR2B 1564/4885

“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.