SCHEMBL4095459

SCHEMBL4095459

CC(=O)N1CCN(c2nc(-c3ccccc3Cl)nc3cccc(C(F)(F)F)c23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.48
CYP1A2 P05177 4/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2D6 P10635 3/20 0.48
MAPK1 P28482 1/20 0.48
ABCB1 P08183 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GBA1 P04062 2/20 0.44
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MAPT P10636 3/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CNR1 P21554 2/20 0.41

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
SCHEMBL4090729 0.89 ABCB1 (0.52) CNR2CYP1A2CYP3A4CYP2D6ABCB1
SCHEMBL4084354 0.88 KMT2A (0.48) CYP1A2CYP3A4CYP2D6MAPK1ABCB1
SCHEMBL4095229 0.87 CNR2 (0.48) CNR2CYP1A2CYP3A4CYP2D6ABCB1
SCHEMBL4085062 0.86 CNR2 (0.49) CNR2CYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL4090855 0.85 ABCB1 (0.62) CNR2CYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL4091807 0.83 MAPT (0.48) CNR2CYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL4095765 0.83 MAPT (0.53) CNR2CYP1A2CYP3A4CYP2D6ABCB1
SCHEMBL4756771 0.82 MEN1 (0.49) CYP1A2CYP3A4CYP2D6MAPK1ABCB1
SCHEMBL4097324 0.81 ABCB1 (0.70) CNR2CYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL4099593 0.78 HIF1A (0.51) CNR2CYP1A2CYP3A4CYP2D6MAPK1

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 3 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

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 CNR2 1/4885CYP1A2 2477/4885CYP3A4 2113/4885

“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.