SCHEMBL4095317

SCHEMBL4095317

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
ABCB1 P08183 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 6/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4090368 0.92 MEN1 (0.53) KMT2AMEN1ABCB1NPC1RAB9A
SCHEMBL4089796 0.90 MEN1 (0.68) KMT2AMEN1ABCB1NPC1RAB9A
SCHEMBL4085117 0.87 KMT2A (0.48) KMT2AMEN1ABCB1MAPTHSD17B10
SCHEMBL4090729 0.86 ABCB1 (0.52) KMT2AMEN1ABCB1RAB9AMAPT
SCHEMBL4092273 0.86 KMT2A (0.53) KMT2AMEN1ABCB1MAPTHSD17B10
SCHEMBL4085044 0.85 KMT2A (0.49) KMT2AMEN1ABCB1MAPTHSD17B10
SCHEMBL4091148 0.85 MEN1 (0.49) KMT2AMEN1ABCB1MAPTHSD17B10
SCHEMBL4089674 0.83 ABCB1 (0.49) KMT2AMEN1ABCB1MAPTHSD17B10
SCHEMBL4085252 0.82 KMT2A (0.69) KMT2AMEN1ABCB1MAPTHSD17B10
SCHEMBL4755278 0.82 MEN1 (0.54) KMT2AMEN1ABCB1MAPTHSD17B10

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.