SCHEMBL10272437

SCHEMBL10272437

COCCNCc1cccc(C)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
CYP2D6 P10635 1/20 0.56
HTR6 P50406 6/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CHRM2 P08172 1/20 0.47
KDM4E B2RXH2 2/20 0.47
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
MAPK1 P28482 1/20 0.47
SCN8A Q9UQD0 2/20 0.47
BCHE P06276 1/20 0.46
IDO1 P14902 1/20 0.44
RAD52 P43351 1/20 0.44
PAX8 Q06710 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL4911510 0.85 MEN1 (0.54) ALDH1A1CYP2D6HTR6CHRM2KDM4E
SCHEMBL5034657 0.83 MEN1 (0.52) ALDH1A1CYP2D6HTR6CHRM2KDM4E
SCHEMBL4916688 0.83 MEN1 (0.52) ALDH1A1CYP2D6HTR6CHRM2KDM4E
SCHEMBL4917404 0.83 MEN1 (0.52) ALDH1A1CYP2D6HTR6CHRM2KDM4E
SCHEMBL3622330 0.81 CYP1A2 (0.60) ALDH1A1CYP2D6L3MBTL1CHRM2KDM4E
SCHEMBL9737112 0.81 TAAR1 (0.54) ALDH1A1CYP2D6KDM4EIDO1HTT
SCHEMBL14492283 0.81 DRD4 (0.71) HTR6KDM4EADRA1DADRA1AADRA1B
SCHEMBL31177924 0.80 TAAR1 (0.55) ALDH1A1CYP2D6CHRM2BCHE
SCHEMBL10077141 0.80 CYP2D6 (0.50) ALDH1A1CYP2D6HTR6CHRM2KDM4E
Hydrochloric Acid SCHEMBL7598195 0.80 L3MBTL1 (0.50) ALDH1A1CYP2D6L3MBTL1CHRM2KDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957498-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2017-02-15 EP disclosed
US-8470850-B2 Inhibitors of VEGF receptor and HGF receptor signalling METHYLGENE INC. (CA) 2013-06-25 US disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
US-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors MERCK PATENT GMBH (DE) 2009-02-05 US disclosed
US-20080027060-A1 DIPEPTIDE NITRILES ALTMANN EVA 2008-01-31 US disclosed
US-20080027060-A1 DIPEPTIDE NITRILES ALTMANN EVA 2008-01-31 US disclosed
EP-1857459-A2 Pyrazolopyrimidine compound and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-11-21 EP disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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 (4 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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 ALDH1A1 1649/4885CYP2D6 4501/4885HTR6 1391/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR ALDH1A1 411/4885CYP2D6 1443/4885HTR6 811/4885
US-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors CHEK2, CHEK1, SIK2 ALDH1A1 3257/4885CYP2D6 3892/4885HTR6 4058/4885
US-20080027060-A1 DIPEPTIDE NITRILES CTSL, CTSS, CTSB ALDH1A1 4249/4885CYP2D6 1851/4885HTR6 4674/4885

“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.