SCHEMBL4084988

SCHEMBL4084988

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CNR1 P21554 4/20 0.51
CNR2 P34972 4/20 0.51
ABCB1 P08183 1/20 0.47
HSD17B10 Q99714 2/20 0.45
MAPT P10636 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
KDM4E B2RXH2 6/20 0.45
GBA1 P04062 5/20 0.44
GLA P06280 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PKM P14618 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL4085128 0.89 MEN1 (0.67) MEN1KMT2ACNR1CNR2ABCB1
SCHEMBL4095049 0.82 MEN1 (0.72) MEN1KMT2AABCB1HSD17B10MAPT
SCHEMBL4095317 0.80 KMT2A (0.54) MEN1KMT2ACNR1CNR2ABCB1
SCHEMBL4090368 0.79 MEN1 (0.53) MEN1KMT2ACNR1CNR2ABCB1
SCHEMBL4090727 0.79 ABCB1 (0.73) MEN1KMT2AABCB1HSD17B10MAPT
SCHEMBL4092273 0.78 KMT2A (0.53) MEN1KMT2AABCB1HSD17B10MAPT
SCHEMBL4090729 0.78 ABCB1 (0.52) MEN1KMT2ACNR1CNR2ABCB1
SCHEMBL4085044 0.77 KMT2A (0.49) MEN1KMT2AABCB1HSD17B10MAPT
SCHEMBL4091148 0.77 MEN1 (0.49) MEN1KMT2ACNR2ABCB1HSD17B10
SCHEMBL4754027 0.77 MEN1 (0.56) MEN1KMT2ACNR2ABCB1HSD17B10

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 MEN1 718/4885KMT2A 1424/4885CNR1 2/4885

“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.