SCHEMBL442344

SCHEMBL442344

O=C(NCc1nc(C(F)(F)F)no1)c1cnc(OC2CCC2)c(-c2ccc(Cl)cc2)c1.O=C(NCc1nc(C(F)(F)F)no1)c1cnc(OC2CCC2)c(-c2ccc(F)c(F)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.51
BCL9 O00512 6/20 0.47
CTNNB1 P35222 6/20 0.47
CNR2 P34972 2/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL412321 0.96 BCL9 (0.48) CNR1BCL9CTNNB1CNR2
SCHEMBL412095 0.95 CNR1 (0.55) CNR1CNR2TP53MAPT
SCHEMBL412098 0.93 CNR1 (0.45) CNR1BCL9CTNNB1CNR2
SCHEMBL411171 0.88 CNR1 (0.45) CNR1BCL9CTNNB1CNR2TP53
SCHEMBL444586 0.87 CNR1 (0.45) CNR1CNR2TP53MAPT
SCHEMBL412122 0.87 CNR1 (0.45) CNR1CNR2TP53MAPT
SCHEMBL441267 0.86 CNR1 (0.47) CNR1CNR2
SCHEMBL412322 0.85 CNR1 (0.49) CNR1BCL9CTNNB1CNR2
SCHEMBL410666 0.83 CNR1 (0.44) CNR1BCL9CTNNB1CNR2TP53
SCHEMBL411182 0.83 CNR1 (0.47) CNR1CNR2TP53MAPT

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-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR1 269/4885BCL9 2426/4885CTNNB1 3991/4885

“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.