SCHEMBL4090866

SCHEMBL4090866

Clc1ccccc1-c1nc(N2CCNCC2)c2c(Cl)cccc2n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.75
CYP3A4 P08684 9/20 0.75
CYP2D6 P10635 7/20 0.75
CYP2C19 P33261 4/20 0.75
MEN1 O00255 3/20 0.75
KMT2A Q03164 3/20 0.75
MAPT P10636 3/20 0.75
HSD17B10 Q99714 2/20 0.75
TDP1 Q9NUW8 1/20 0.75
ABCB1 P08183 1/20 0.57
CLK4 Q9HAZ1 5/20 0.54
TSHR P16473 3/20 0.54
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 4/20 0.47
HRH4 Q9H3N8 1/20 0.47
PRKCI P41743 2/20 0.46
HTR7 P34969 1/20 0.45
ADRB1 P08588 1/20 0.44
TP53 P04637 4/20 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
SCHEMBL4090727 0.88 ABCB1 (0.73) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL4089350 0.86 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL4090729 0.80 ABCB1 (0.52) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL4753636 0.79 KMT2A (0.55) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL4084544 0.79 ABCB1 (0.67) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL1084330 0.79 SMAD3 (0.67) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL4092379 0.79 ABCB1 (0.67) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL4099494 0.79 HIF1A (0.65) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL4089674 0.77 ABCB1 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL4090368 0.77 MEN1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19MEN1

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 CYP1A2 2477/4885CYP3A4 2113/4885CYP2D6 3010/4885

“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.