SCHEMBL4886271

SCHEMBL4886271

O=c1c(Cc2ccc(C(F)(F)F)cc2)nnc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ARF6 P62330 1/20 0.43
CNR1 P21554 10/20 0.40
CNR2 P34972 8/20 0.40
LRRK2 Q5S007 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
GRM2 Q14416 1/20 0.37
MAT2A P31153 1/20 0.37
MAOB P27338 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MALT1 Q9UDY8 1/20 0.36

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
SCHEMBL3556439 0.88 CNR1 (0.40) ARF6CNR1CNR2LRRK2CHRM5
SCHEMBL14280867 0.87 CNR1 (0.41) ARF6CNR1CNR2
SCHEMBL4872141 0.82 AVPR2 (0.45) CNR1CNR2CHRM5CHRM3CA12
SCHEMBL3552729 0.80 CNR1 (0.44) CNR1CNR2MAPTMALT1
SCHEMBL3551780 0.79 MET (0.41) CNR1CNR2TP53
SCHEMBL3551748 0.79 TACR1 (0.46) CNR1
SCHEMBL13593482 0.77 LRRK2 (0.38) CNR1CNR2LRRK2MAOBTP53
SCHEMBL13593484 0.76 DGAT2 (0.40) CNR1CNR2LRRK2MALT1
SCHEMBL3557048 0.76 ALOX5 (0.45) ARF6CNR1CNR2TP53
SCHEMBL4872815 0.76 CNR1 (0.43) CNR1CNR2MAOB

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-7317012-B2 Bicyclic heterocycles as cannabinoind-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-08 US disclosed
US-7317012-B2 Bicyclic heterocycles as cannabinoind-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-08 US disclosed
US-7317012-B2 Bicyclic heterocycles as cannabinoind-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-08 US disclosed
US-20060287322-A1 Bicyclic heterocycles as cannabinoind-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 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-20060287322-A1 Bicyclic heterocycles as cannabinoind-1 receptor modulators CNR1, CNR2, GPR18 ARF6 1912/4885CNR1 1/4885CNR2 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.