SCHEMBL4516045

SCHEMBL4516045

O=c1c2ncn(-c3ccccc3)c2nc(-c2ccc(-c3cccc(F)c3)cc2F)n1-c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 6/20 0.41
MAPT P10636 1/20 0.41
MCHR1 Q99705 1/20 0.41
USP2 O75604 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
XDH P47989 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGS2 P35354 1/20 0.36
TP53 P04637 1/20 0.35
TDP2 O95551 1/20 0.35
GSR P00390 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL27698329 0.94 GRM1 (0.44) GRM1MAPTMCHR1USP2CYP1A2
SCHEMBL1753604 0.91 MAPT (0.46) GRM1MAPTMCHR1USP2CYP1A2
SCHEMBL27698337 0.89 GRM1 (0.46) GRM1MAPTMCHR1USP2CYP1A2
SCHEMBL1689106 0.89 GRM1 (0.44) GRM1MAPTMCHR1XDHKMT2A
SCHEMBL1689015 0.86 MAPT (0.44) GRM1MAPTMCHR1XDHKMT2A
SCHEMBL1753307 0.84 HSD11B1 (0.42) GRM1MAPTMCHR1XDHKMT2A
SCHEMBL1689027 0.83 MAPT (0.43) GRM1MAPTMCHR1USP2CYP1A2
SCHEMBL1688971 0.82 USP2 (0.45) GRM1MAPTUSP2CYP1A2CYP3A4
SCHEMBL1753607 0.82 NPSR1 (0.45) GRM1MAPTMCHR1USP2CYP1A2
SCHEMBL1689332 0.81 GRM1 (0.48) GRM1MAPTMCHR1USP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US claimed

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 GRM1 69/4885MAPT 1780/4885MCHR1 551/4885

“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.