SCHEMBL4085117

SCHEMBL4085117

CC(C)CC(=O)N1CCN(c2nc(-c3ccccc3Cl)nc3cccc(Cl)c23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ABCB1 P08183 1/20 0.47
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 4/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.40
TACR3 P29371 1/20 0.40
PKM P14618 1/20 0.40
SMO Q99835 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4090368 0.89 MEN1 (0.53) KMT2AMEN1ABCB1CYP2C19CYP1A2
SCHEMBL4095317 0.87 KMT2A (0.54) KMT2AMEN1ABCB1CYP2C19CYP1A2
SCHEMBL4090729 0.85 ABCB1 (0.52) KMT2AMEN1ABCB1CYP2C19CYP1A2
SCHEMBL4092273 0.83 KMT2A (0.53) KMT2AMEN1ABCB1CYP2C19CYP1A2
SCHEMBL4089674 0.82 ABCB1 (0.49) KMT2AMEN1ABCB1CYP2C19CYP1A2
SCHEMBL4755315 0.81 MEN1 (0.53) KMT2AMEN1ABCB1CYP2C19CYP1A2
SCHEMBL4754027 0.81 MEN1 (0.56) KMT2AMEN1ABCB1CYP2C19CYP1A2
SCHEMBL4085044 0.80 KMT2A (0.49) KMT2AMEN1ABCB1CYP2C19CYP1A2
SCHEMBL4091148 0.80 MEN1 (0.49) KMT2AMEN1ABCB1CYP2C19CYP1A2
SCHEMBL4755278 0.79 MEN1 (0.54) KMT2AMEN1ABCB1CYP2C19CYP1A2

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 KMT2A 1424/4885MEN1 718/4885ABCB1 2120/4885

“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.