SCHEMBL4091807

SCHEMBL4091807

COc1cccc2nc(-c3ccccc3Cl)nc(N3CCN(C(C)=O)CC3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
RAD52 P43351 1/20 0.48
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
CNR2 P34972 3/20 0.47
HIF1A Q16665 2/20 0.47
ABCB1 P08183 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CNR1 P21554 2/20 0.46
GBA1 P04062 1/20 0.45
CYP2D6 P10635 2/20 0.44
MAPK1 P28482 2/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL4090729 0.90 ABCB1 (0.52) MAPTCYP1A2CYP3A4KDM4EALDH1A1
SCHEMBL4090616 0.89 KMT2A (0.49) MAPTRAD52CYP1A2CYP3A4TSHR
SCHEMBL4085062 0.87 CNR2 (0.49) MAPTCYP1A2CYP3A4TSHRKDM4E
SCHEMBL4090028 0.86 ABCB1 (0.62) MAPTRAD52CYP1A2CYP3A4TSHR
SCHEMBL4095229 0.86 CNR2 (0.48) MAPTCYP1A2CYP3A4KDM4EALDH1A1
SCHEMBL4095459 0.83 CNR2 (0.48) MAPTCYP1A2CYP3A4TSHRKDM4E
SCHEMBL4089674 0.82 ABCB1 (0.49) MAPTRAD52CYP1A2CYP3A4TSHR
SCHEMBL4753835 0.82 MEN1 (0.52) MAPTRAD52CYP1A2CYP3A4TSHR
SCHEMBL4097324 0.82 ABCB1 (0.70) MAPTCYP1A2CYP3A4TSHRALDH1A1
SCHEMBL4095765 0.82 MAPT (0.53) MAPTCYP1A2CYP3A4KDM4EALDH1A1

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 4 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

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 MAPT 4125/4885RAD52 2542/4885CYP1A2 2477/4885

“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.