SCHEMBL4085540

SCHEMBL4085540

CC(C)(C)c1ccc(-c2nc(NCC3CCCCC3)c3ccccc3n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.65
APP P05067 1/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPT P10636 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
NPC1 O15118 1/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PDE5A O76074 7/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
TP53 P04637 2/20 0.53
ACP1 P24666 2/20 0.52
SLC6A3 Q01959 2/20 0.52
TLR7 Q9NYK1 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL4085381 0.94 PDE5A (0.63) GBA1APPMEN1KMT2AKDM4E
SCHEMBL13252154 0.88 GBA1 (0.80) GBA1APPMEN1KMT2APDE5A
SCHEMBL3460111 0.84 GBA1 (0.77) GBA1APPMEN1KMT2AKDM4E
SCHEMBL4091637 0.83 ACP1 (0.77) GBA1MEN1KMT2AKDM4EMAPT
SCHEMBL4101791 0.82 PDE5A (0.79) GBA1APPMEN1KMT2AMAPT
SCHEMBL7433632 0.79 GBA1 (1.00) GBA1MEN1KMT2AMAPTNPSR1
SCHEMBL4092134 0.76 APP (0.62) GBA1APPMEN1KMT2AMAPT
SCHEMBL11739315 0.76 APP (0.62) GBA1APPMEN1KMT2AKDM4E
SCHEMBL8133432 0.74 APP (1.00) GBA1APPMEN1KMT2APDE5A
SCHEMBL4085665 0.74 ABCG2 (0.95) GBA1MEN1KMT2AMAPTLMNA

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 1 patent. 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

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 2059/4885APP 1979/4885MEN1 718/4885

“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.