SCHEMBL4095601

SCHEMBL4095601

Clc1ccccc1-c1nc(NCC2CC2)c2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.61
CYP3A4 P08684 8/20 0.61
CYP2C19 P33261 7/20 0.61
CYP2D6 P10635 7/20 0.61
MAPK1 P28482 4/20 0.61
CYP2C9 P11712 3/20 0.61
HSD17B10 Q99714 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
CLK4 Q9HAZ1 7/20 0.61
PDE5A O76074 3/20 0.60
ALDH1A1 P00352 7/20 0.59
TSHR P16473 4/20 0.59
USP2 O75604 4/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
LMNA P02545 3/20 0.59
APEX1 P27695 1/20 0.59
CASP7 P55210 1/20 0.59
ALOX15 P16050 1/20 0.57
HIF1A Q16665 1/20 0.57

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
SCHEMBL4092134 0.94 APP (0.62) CYP1A2CYP3A4CYP2C19CYP2D6MAPK1
SCHEMBL4092207 0.88 PDE5A (0.56) CYP1A2CYP3A4CYP2C19CYP2D6MAPK1
SCHEMBL13734187 0.83 MAPT (0.77) CYP1A2CYP3A4CYP2C19CYP2D6MAPK1
SCHEMBL4101791 0.82 PDE5A (0.79) MAPK1PDE5AMEN1KMT2ALMNA
SCHEMBL8890678 0.81 TLR7 (0.64) CYP1A2CYP2D6MAPK1PDE5AMEN1
SCHEMBL1083779 0.80 CYP1A2 (0.80) CYP1A2CYP3A4CYP2C19CYP2D6MAPK1
SCHEMBL13300259 0.79 CYP1A2 (0.71) CYP1A2CYP3A4CYP2C19CYP2D6MAPK1
SCHEMBL3116676 0.78 TLR7 (0.57) CYP1A2CYP2D6PDE5AMEN1KMT2A
SCHEMBL3110889 0.78 TLR7 (0.57) CYP1A2CYP2D6PDE5AMEN1KMT2A
SCHEMBL13984219 0.77 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C19CYP2D6MAPK1

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 CYP1A2 2477/4885CYP3A4 2113/4885CYP2C19 1655/4885

“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.