SCHEMBL4085381

SCHEMBL4085381

CC(C)(C)c1ccc(-c2nc(NCC3CC3)c3ccccc3n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.63
SMN1; SMN2 Q16637 2/20 0.60
KDM4E B2RXH2 2/20 0.60
MAPT P10636 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
MEN1 O00255 1/20 0.60
NPC1 O15118 1/20 0.60
LMNA P02545 1/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 1/20 0.60
ABCG2 Q9UNQ0 2/20 0.59
GBA1 P04062 1/20 0.56
TLR7 Q9NYK1 1/20 0.56
TP53 P04637 3/20 0.53
SLC6A3 Q01959 1/20 0.52
CYP1A1 P04798 2/20 0.51
CYP1A2 P05177 2/20 0.51
ACP1 P24666 1/20 0.50
APP P05067 1/20 0.50
ALDH1A1 P00352 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
SCHEMBL4085540 0.94 GBA1 (0.65) PDE5ASMN1; SMN2KDM4EMAPTNPSR1
SCHEMBL4101791 0.87 PDE5A (0.79) PDE5AMAPTMEN1LMNAKMT2A
SCHEMBL13252154 0.81 GBA1 (0.80) PDE5AMEN1KMT2AGBA1TLR7
SCHEMBL4091637 0.79 ACP1 (0.77) PDE5AKDM4EMAPTMEN1LMNA
SCHEMBL4085665 0.77 ABCG2 (0.95) PDE5AMAPTMEN1LMNAKMT2A
SCHEMBL7280380 0.77 PDE5A (1.00) PDE5AMAPTNPSR1MEN1LMNA
SCHEMBL3460111 0.77 GBA1 (0.77) PDE5ASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL4094753 0.77 MEN1 (0.70) PDE5ASMN1; SMN2KDM4EMAPTNPSR1
SCHEMBL13796944 0.76 NPY5R (0.58) MAPTGBA1TLR7ALDH1A1
SCHEMBL4100233 0.75 TP53 (0.63) PDE5ASMN1; SMN2KDM4EMAPTNPSR1

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 PDE5A 1861/4885SMN1; SMN2 1281/4885KDM4E 1626/4885

“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.