SCHEMBL2816044

SCHEMBL2816044

CC(C)(C)c1cc(N)n(CC2CCOC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.40
TLR7 Q9NYK1 4/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDO2 P48775 2/20 0.35
CNR2 P34972 4/20 0.35
CYP11B2 P19099 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL284087 0.92 CNR2 (0.40) KDM4ECNR2PDE8BMAPK14
SCHEMBL24007963 0.89 KDM4E (0.38) KDM4EALDH1A1POLBMAPK14
SCHEMBL24816274 0.85 CNR2 (0.40) PIK3CATLR7KDM4EALDH1A1GLA
SCHEMBL4898659 0.84 KDM4E (0.41) KDM4EALDH1A1MAPTNPSR1CNR2
Hydrochloric Acid SCHEMBL287358 0.83 KDM4E (0.40) KDM4EALDH1A1MAPTNPSR1CNR2
SCHEMBL21960359 0.82 PIK3CA (0.45) PIK3CATLR7KDM4EALDH1A1GLA
SCHEMBL282886 0.81 MEN1 (0.44) KDM4EMAPTNPSR1CNR2MAPK14
SCHEMBL281636 0.81 MAPT (0.41) KDM4EMAPTNPSR1CNR2MAPK14
SCHEMBL24008083 0.79 TLR7 (0.51) PIK3CATLR7GAAMAPTNPSR1
SCHEMBL23880253 0.79 PIK3CA (0.40) PIK3CATLR7TDO2CYP11B2CYP1A2

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-9193713-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2015-11-24 US disclosed
EP-2851366-A1 Compounds as cannabinoid receptor ligands Abbvie Inc. (US) 2015-03-25 EP disclosed
US-8492371-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2013-07-23 US disclosed
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
US-20090105306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-04-23 US 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 (2 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-20090105306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 PIK3CA 1461/4885TLR7 1122/4885KDM4E 1901/4885
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 PIK3CA 1340/4885TLR7 1150/4885KDM4E 1939/4885

“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.