SCHEMBL4000754

SCHEMBL4000754

CC(C)(C)c1nc2cc(Br)ccc2n1CC1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.68
CNR1 P21554 2/20 0.59
KCNH2 Q12809 1/20 0.56

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
SCHEMBL1335919 0.91 CNR2 (0.65) CNR2CNR1KCNH2
SCHEMBL13450109 0.87 CNR2 (0.69) CNR2CNR1KCNH2
SCHEMBL1609531 0.86 CNR2 (0.68) CNR2CNR1KCNH2
SCHEMBL13605698 0.86 CNR2 (0.68) CNR2CNR1KCNH2
Hydrochloric Acid SCHEMBL1609279 0.85 CNR2 (0.67) CNR2CNR1KCNH2
SCHEMBL3997990 0.84 CNR2 (0.67) CNR2CNR1
SCHEMBL4002183 0.84 CNR2 (0.66) CNR2CNR1
SCHEMBL585121 0.84 CNR2 (0.66) CNR2CNR1
SCHEMBL3999287 0.84 CNR2 (0.57) CNR2CNR1
SCHEMBL14304626 0.83 CNR2 (0.67) CNR2CNR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598393-B2 Sulfonyl benzimidazole derivatives PFIZER INC. (US) 2009-10-06 US disclosed
EP-1809607-B1 SULFONYL BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2008-12-17 EP disclosed
US-20060094750-A1 Sulfonyl benzimidazole derivatives KON-I KANA 2006-05-04 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-20060094750-A1 Sulfonyl benzimidazole derivatives TRPV1, CNR2, CNR1 CNR2 2/4885CNR1 3/4885KCNH2 331/4885

“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.