SCHEMBL441228

SCHEMBL441228

Cc1cc(-c2cc(C(=O)NCc3csc(C4CC4)n3)cnc2OCC(F)(F)F)ccc1Cl.Cc1cc(-c2cc(C(=O)NCc3nc(C(F)(F)F)no3)cnc2OCC(F)(F)F)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.43
CNR2 P34972 10/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
RHOC P08134 1/20 0.36
RHOA P61586 1/20 0.36
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
RECQL P46063 1/20 0.34
MAPK14 Q16539 1/20 0.34
GABRA5 P31644 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
SCHEMBL412310 0.93 CNR1 (0.49) CNR1CNR2RHOCRHOAKCNH2
SCHEMBL410646 0.89 CNR1 (0.44) CNR1CNR2MAPTTP53KCNH2
SCHEMBL412421 0.84 MAPT (0.49) CNR1CNR2MAPTTP53KCNH2
SCHEMBL411157 0.83 CNR1 (0.44) CNR1CNR2MAPTTP53KCNH2
SCHEMBL411171 0.82 CNR1 (0.45) CNR1CNR2MAPTTP53SCN5A
SCHEMBL412099 0.82 ABL1 (0.44) CNR1MAPTTP53RECQL
SCHEMBL442851 0.80 CNR1 (0.46) CNR1CNR2MAPTTP53KCNH2
SCHEMBL411604 0.80 CNR1 (0.48) CNR1CNR2MAPTTP53KCNH2
SCHEMBL411092 0.80 CNR1 (0.55) CNR1CNR2MAPTTP53KCNH2
SCHEMBL410652 0.80 MAPT (0.46) CNR1MAPTTP53KCNH2SCN5A

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 269/4885CNR2 435/4885MAPT 4619/4885

“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.