SCHEMBL4085133

SCHEMBL4085133

CCOC(=O)N1CCN(c2nc(-c3cccc(F)c3)nc3ccccc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
MAPT P10636 3/20 0.57
GBA1 P04062 6/20 0.55
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
CASP1 P29466 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
USP2 O75604 1/20 0.52
MAPK1 P28482 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52

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
SCHEMBL4084420 0.88 MEN1 (0.64) MEN1KMT2AMAPTGBA1LMNA
SCHEMBL4097902 0.87 GBA1 (0.61) MAPTGBA1TSHRCYP1A2CYP3A4
SCHEMBL4095069 0.85 MEN1 (0.63) MEN1KMT2AMAPTGBA1LMNA
SCHEMBL4096171 0.83 MEN1 (0.67) MEN1KMT2AMAPTGBA1LMNA
SCHEMBL1084085 0.83 MEN1 (0.67) MEN1KMT2AMAPTGBA1LMNA
SCHEMBL4095930 0.81 MEN1 (0.66) MEN1KMT2AMAPTGBA1LMNA
SCHEMBL4090740 0.81 MEN1 (0.62) MEN1KMT2AMAPTGBA1LMNA
SCHEMBL1084788 0.79 MEN1 (0.55) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL4095953 0.79 MEN1 (0.67) MEN1KMT2AMAPTGBA1KDM4E
SCHEMBL4093148 0.78 KMT2A (0.54) MEN1KMT2AMAPTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 WO disclosed
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 MEN1 718/4885KMT2A 1424/4885MAPT 4125/4885

“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.