SCHEMBL4095774

SCHEMBL4095774

CC(=O)N1CCN(c2nc(-c3ccc(F)c(F)c3)nc3ccccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.61
ABCG2 Q9UNQ0 3/20 0.53
MAPT P10636 2/20 0.52
NCF1 P14598 2/20 0.51
USP2 O75604 3/20 0.50
CYP1A2 P05177 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP2C19 P33261 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
TSHR P16473 2/20 0.50
MGLL Q99685 1/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
SMO Q99835 1/20 0.49
ACP1 P24666 1/20 0.49
ROCK2 O75116 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL4097902 0.87 GBA1 (0.61) GBA1ABCG2MAPTNCF1USP2
SCHEMBL4084420 0.87 MEN1 (0.64) GBA1ABCG2MAPTUSP2CYP1A2
SCHEMBL4090401 0.85 GBA1 (0.64) GBA1ABCG2MAPTNCF1USP2
SCHEMBL4090937 0.85 CYP3A4 (0.67) GBA1ABCG2MAPTUSP2CYP1A2
SCHEMBL4096827 0.84 ACP1 (0.70) ABCG2MAPTUSP2ALDH1A1HSD17B10
SCHEMBL4090816 0.83 HIF1A (0.68) GBA1MAPTNCF1USP2CYP1A2
SCHEMBL4084433 0.83 ACP1 (0.71) ABCG2MAPTUSP2ALDH1A1HSD17B10
SCHEMBL4089767 0.82 GBA1 (0.60) GBA1MAPTNCF1USP2CYP1A2
SCHEMBL4094693 0.81 MEN1 (0.72) GBA1ABCG2MAPTUSP2CYP1A2
SCHEMBL4090305 0.81 HTT (0.66) GBA1ABCG2MAPTUSP2CYP1A2

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 4 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

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 GBA1 2059/4885ABCG2 3127/4885MAPT 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.