SCHEMBL4094744

SCHEMBL4094744

Clc1ccc(-c2nc(N3CCc4ccccc4C3)c3ccccc3n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.68
ACP1 P24666 2/20 0.54
ABCG2 Q9UNQ0 3/20 0.53
ALDH1A1 P00352 4/20 0.51
MAPT P10636 4/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 4/20 0.50
KDM4E B2RXH2 3/20 0.50
TSHR P16473 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PLA2G1B P04054 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL2583210 0.91 GBA1 (0.80) GBA1ACP1ABCG2ALDH1A1MAPT
SCHEMBL4091848 0.83 ABCB1 (0.69) GBA1ALDH1A1MAPTGAALMNA
SCHEMBL1084186 0.82 ACP1 (0.81) GBA1ACP1ABCG2ALDH1A1MAPT
SCHEMBL3641040 0.82 GBA1 (0.59) GBA1ALDH1A1MAPTGAALMNA
SCHEMBL1083792 0.81 TSHR (0.74) GBA1ACP1ABCG2ALDH1A1MAPT
SCHEMBL18353946 0.81 GBA1 (1.00) GBA1ALDH1A1MAPTGAALMNA
SCHEMBL4085035 0.81 ACP1 (0.81) GBA1ACP1ABCG2ALDH1A1MAPT
SCHEMBL1083989 0.79 HTT (0.74) GBA1ACP1ABCG2ALDH1A1MAPT
SCHEMBL12667623 0.78 METAP1 (0.67) GBA1ALDH1A1MAPTGAALMNA
SCHEMBL4101482 0.77 TP53 (0.78) GBA1ACP1ABCG2ALDH1A1MAPT

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 GBA1 2059/4885ACP1 3504/4885ABCG2 3127/4885

“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.