SCHEMBL13168396

SCHEMBL13168396

C=C1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)CCCOC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.64
HRH3 Q9Y5N1 5/20 0.64
RORC P51449 2/20 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
SCHEMBL13168150 0.95 KCNH2 (0.61) KCNH2HRH3RORC
SCHEMBL12863267 0.84 HRH3 (0.69) KCNH2HRH3
SCHEMBL1128120 0.78 KCNH2 (1.00) KCNH2HRH3
SCHEMBL1128396 0.78 KCNH2 (1.00) KCNH2HRH3
Hydrochloric Acid SCHEMBL1141460 0.78 KCNH2 (0.98) KCNH2HRH3
Hydrochloric Acid SCHEMBL1141464 0.78 KCNH2 (0.98) KCNH2HRH3
SCHEMBL12855839 0.77 KCNH2 (0.59) KCNH2HRH3
SCHEMBL3634618 0.77 KCNH2 (0.60) KCNH2HRH3
SCHEMBL3636340 0.76 KCNH2 (0.57) KCNH2HRH3
SCHEMBL1128041 0.76 KCNH2 (0.58) KCNH2HRH3

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-20100240653-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2010-09-23 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-20100240653-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HRH3, HRH4, HRH1 KCNH2 1344/4885HRH3 1/4885RORC 132/4885

“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.