SCHEMBL4096402

SCHEMBL4096402

COc1ccc2nc(C3CCCCC3)nc(N3CCCC3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 17/20 0.70
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.53
PAX8 Q06710 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ACHE P22303 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
HTR1A P08908 1/20 0.49
TSPO P30536 1/20 0.49
HTR7 P34969 1/20 0.49
HRH1 P35367 1/20 0.49
OPRM1 P35372 1/20 0.49
HTR3A P46098 1/20 0.49
SIGMAR1 Q99720 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
SCHEMBL4095451 0.92 NTSR1 (0.69) NTSR1ALDH1A1MAPTPAX8L3MBTL1
SCHEMBL4088982 0.90 NTSR1 (0.70) NTSR1ALDH1A1MAPTPAX8L3MBTL1
SCHEMBL4090980 0.87 NTSR1 (0.63) NTSR1ALDH1A1MAPTPAX8L3MBTL1
SCHEMBL4753784 0.85 NTSR1 (0.61) NTSR1ALDH1A1MAPTPAX8L3MBTL1
SCHEMBL4096410 0.84 NTSR1 (0.59) NTSR1ALDH1A1MAPTPAX8L3MBTL1
SCHEMBL15819562 0.82 NTSR1 (1.00) NTSR1ALDH1A1MAPTPAX8L3MBTL1
SCHEMBL4089276 0.82 NTSR1 (0.69) NTSR1ALDH1A1MAPTPAX8L3MBTL1
SCHEMBL4095784 0.81 NTSR1 (0.50) NTSR1ALDH1A1MAPTPAX8L3MBTL1
SCHEMBL15818754 0.80 NTSR1 (1.00) NTSR1ALDH1A1MAPTPAX8L3MBTL1
SCHEMBL4259838 0.78 NTSR1 (0.62) NTSR1ALDH1A1MAPTL3MBTL1KDM4E

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 NTSR1 337/4885ALDH1A1 4857/4885MAPT 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.