SCHEMBL4091176

SCHEMBL4091176

Clc1ccccc1-c1nc(N2CCSCC2)c2ccccc2n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.78
CYP1A2 P05177 10/20 0.73
CYP3A4 P08684 9/20 0.73
CYP2D6 P10635 7/20 0.73
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
CYP2C19 P33261 4/20 0.73
HSD17B10 Q99714 3/20 0.73
MAPT P10636 3/20 0.73
TDP1 Q9NUW8 1/20 0.73
SMAD3 P84022 1/20 0.55
CLK4 Q9HAZ1 5/20 0.55
USP2 O75604 4/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
HIF1A Q16665 1/20 0.54
ALDH1A1 P00352 4/20 0.53
TSHR P16473 5/20 0.52
MAPK1 P28482 3/20 0.52
ALOX15 P16050 2/20 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
SCHEMBL1084135 0.88 ABCB1 (1.00) ABCB1CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL4090221 0.88 ABCB1 (0.60) ABCB1CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL4090291 0.86 ABCB1 (0.97) ABCB1CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL1083928 0.84 HIF1A (0.76) ABCB1CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL1083974 0.84 ABCB1 (0.78) ABCB1CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL4089350 0.84 CYP1A2 (1.00) ABCB1CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL4084986 0.84 ABCB1 (0.78) ABCB1CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL4089362 0.83 ABCB1 (0.76) ABCB1CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL4090141 0.83 ABCB1 (0.76) ABCB1CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL4091007 0.83 ABCB1 (0.55) ABCB1CYP1A2CYP3A4CYP2D6MEN1

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 ABCB1 2120/4885CYP1A2 2477/4885CYP3A4 2113/4885

“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.