SCHEMBL6895828

SCHEMBL6895828

Cc1ccc(S(=O)(=O)OCCn2c(C[C@@H]3CCCN3)nc3cc(Br)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.41
PARP1 P09874 2/20 0.39
CNR2 P34972 8/20 0.38
PAX8 Q06710 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
SCHEMBL6896112 0.92 PARP1 (0.40) HTR6PARP1CNR2
SCHEMBL6895417 0.86 CNR2 (0.43) HTR6PARP1CNR2
SCHEMBL419017 0.81 JAK2 (0.43) PARP1CNR2PAX8
SCHEMBL6896271 0.79 PARP1 (0.37) PARP1CNR2PAX8
SCHEMBL6893814 0.78 PARP1 (0.38) PARP1CNR2
SCHEMBL10010656 0.77 CNR2 (0.36) PARP1CNR2
SCHEMBL27869259 0.73 NPY1R (0.41) CNR2
SCHEMBL6894057 0.73 PARP1 (0.39) PARP1CNR2
SCHEMBL422578 0.73 PARP1 (0.39) PARP1PAX8
SCHEMBL420597 0.73 GNRHR (0.48)

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-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
WO-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed
WO-2011031816-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO 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 (2 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-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof HRH3, HRH4, HRH2 HTR6 107/4885PARP1 4099/4885CNR2 128/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HTR6 107/4885PARP1 4099/4885CNR2 128/4885

“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.