SCHEMBL2116610

SCHEMBL2116610

CC(C)c1ccc(-c2nc3c(-c4ccccc4)nn(C(=O)O)c3c(=O)n2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 2/20 0.39
PPARA Q07869 1/20 0.39
DHODH Q02127 1/20 0.39
PDE10A Q9Y233 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
CNR1 P21554 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 3/20 0.37
USP2 O75604 2/20 0.37
CYP1A2 P05177 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL1689355 0.92 DHFR (0.41) DHFRKDM4EMAPTPPARADHODH
SCHEMBL1689035 0.87 DHFR (0.45) DHFRKDM4EMAPTADORA2BADORA1
SCHEMBL1753378 0.87 AKR1B10 (0.42) DHFRKDM4EMAPTGAAMEN1
SCHEMBL1689123 0.86 DHFR (0.43) DHFRKDM4EMAPTADORA2BADORA1
SCHEMBL1689195 0.84 DHFR (0.42) DHFRKDM4EMAPTDHODHPDE10A
SCHEMBL1753168 0.81 DHFR (0.41) DHFRKDM4EMAPTADORA2BADORA1
SCHEMBL1689118 0.81 DHFR (0.38) DHFRKDM4EMAPTGAACYP1A2
SCHEMBL1689023 0.79 DHFR (0.47) DHFRKDM4EMAPTCNR1NPSR1
SCHEMBL4166791 0.78 USP2 (0.41) MAPTADORA2BADORA1CNR1ADORA3
SCHEMBL1689021 0.77 DHFR (0.45) DHFRKDM4EMAPTDHODHPDE10A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 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 (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-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH DHFR 2867/4885KDM4E 1763/4885MAPT 1780/4885

“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.