SCHEMBL4097172

SCHEMBL4097172

CCOC(=O)N1CCN(c2nc(-c3ccccc3Cl)nc3cc(C(=O)OC)ccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
ABCB1 P08183 1/20 0.47
SMYD3 Q9H7B4 5/20 0.45
GBA1 P04062 1/20 0.45
MAPT P10636 3/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
P2RY12 Q9H244 3/20 0.44
PDE2A O00408 1/20 0.43
PDE10A Q9Y233 1/20 0.43
IDE P14735 1/20 0.43
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL13984100 0.92 KMT2A (0.51) KMT2AMEN1ABCB1SMYD3GBA1
SCHEMBL4095415 0.92 KMT2A (0.57) KMT2AMEN1ABCB1SMYD3GBA1
SCHEMBL4092356 0.90 KMT2A (0.51) KMT2AMEN1ABCB1SMYD3GBA1
SCHEMBL13984103 0.89 KMT2A (0.54) KMT2AMEN1ABCB1SMYD3GBA1
SCHEMBL4103565 0.89 ABCB1 (0.50) KMT2AMEN1ABCB1GBA1MAPT
SCHEMBL4090724 0.89 KMT2A (0.55) KMT2AMEN1ABCB1GBA1MAPT
SCHEMBL13984097 0.89 KMT2A (0.50) KMT2AMEN1ABCB1SMYD3GBA1
SCHEMBL4099812 0.89 MEN1 (0.50) KMT2AMEN1ABCB1SMYD3GBA1
SCHEMBL4099459 0.88 KMT2A (0.51) KMT2AMEN1ABCB1SMYD3GBA1
SCHEMBL4095953 0.87 MEN1 (0.67) KMT2AMEN1ABCB1GBA1MAPT

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.