SCHEMBL4089263

SCHEMBL4089263

c1ccc2c(N3CCCC3)nc(C3CCCC3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 4/20 0.64
GBA1 P04062 1/20 0.61
L3MBTL1 Q9Y468 3/20 0.59
TSHR P16473 2/20 0.59
GLA P06280 1/20 0.59
HSD17B10 Q99714 1/20 0.59
GAA P10253 1/20 0.59
HPGD P15428 1/20 0.59
ACP1 P24666 2/20 0.57
KDM4E B2RXH2 2/20 0.56
ATM Q13315 2/20 0.56
MAPK1 P28482 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TLR7 Q9NYK1 1/20 0.55
NPY5R Q15761 1/20 0.53
USP2 O75604 1/20 0.52
PDE5A O76074 1/20 0.52
TP53 P04637 1/20 0.52

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
SCHEMBL4090824 0.98 NTSR1 (0.62) NTSR1GBA1L3MBTL1TSHRGLA
SCHEMBL4259838 0.98 NTSR1 (0.62) NTSR1GBA1L3MBTL1TSHRGLA
SCHEMBL4097329 0.98 NTSR1 (0.62) NTSR1GBA1L3MBTL1TSHRGLA
SCHEMBL4085145 0.89 NTSR1 (0.65) NTSR1GBA1TSHRHSD17B10KDM4E
SCHEMBL4089431 0.89 KDM4E (0.61) NTSR1GBA1TSHRGLAHSD17B10
SCHEMBL4091432 0.88 NTSR1 (0.64) NTSR1GBA1TSHRHSD17B10KDM4E
SCHEMBL4092375 0.88 ALDH1A1 (0.62) NTSR1GBA1TSHRGLAHSD17B10
SCHEMBL4088803 0.79 NTSR1 (0.48) NTSR1L3MBTL1HSD17B10NPY5RMAPT
SCHEMBL4085177 0.79 NTSR1 (0.48) NTSR1L3MBTL1HSD17B10NPY5RMAPT
SCHEMBL4095784 0.79 NTSR1 (0.50) NTSR1L3MBTL1NPY5RMAPTALDH1A1

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 337/4885GBA1 2059/4885L3MBTL1 3667/4885

“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.