SCHEMBL4091637

SCHEMBL4091637

CC(C)(C)c1ccc(-c2nc(NC3CCCCC3)c3ccccc3n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.77
PDE5A O76074 2/20 0.77
GBA1 P04062 8/20 0.63
ABCG2 Q9UNQ0 2/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HSP90AA1 P07900 1/20 0.57
TP53 P04637 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
HSD17B10 Q99714 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
RECQL P46063 1/20 0.56
BLM P54132 1/20 0.56
HBB P68871 1/20 0.56
TLR7 Q9NYK1 2/20 0.56
OGG1 O15527 1/20 0.55

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
SCHEMBL4862541 0.87 ACP1 (1.00) ACP1PDE5AGBA1ABCG2MEN1
SCHEMBL1083845 0.86 ACP1 (1.00) ACP1PDE5AGBA1ABCG2MEN1
SCHEMBL4085540 0.83 GBA1 (0.65) ACP1PDE5AGBA1ABCG2MEN1
SCHEMBL1083972 0.83 ACP1 (0.85) ACP1PDE5AGBA1ABCG2MEN1
SCHEMBL3460201 0.81 ACP1 (0.84) ACP1PDE5AGBA1ABCG2MEN1
SCHEMBL4867358 0.80 ACP1 (1.00) ACP1PDE5AGBA1MEN1KMT2A
SCHEMBL4085381 0.79 PDE5A (0.63) ACP1PDE5AGBA1ABCG2MEN1
SCHEMBL4085665 0.77 ABCG2 (0.95) PDE5AGBA1ABCG2MEN1KMT2A
SCHEMBL15966672 0.77 GBA1 (1.00) ACP1PDE5AGBA1
SCHEMBL18353876 0.77 GBA1 (1.00) ACP1PDE5AGBA1

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 ACP1 3504/4885PDE5A 1861/4885GBA1 2059/4885

“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.