SCHEMBL6895417

SCHEMBL6895417

Cc1ccc(S(=O)(=O)OCCc2nc3cc(Br)ccc3n2CC2CCCN2)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.43
PARP1 P09874 2/20 0.39
HTR6 P50406 1/20 0.37
CNR1 P21554 1/20 0.35

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
SCHEMBL6895828 0.86 HTR6 (0.41) CNR2PARP1HTR6
SCHEMBL6896112 0.82 PARP1 (0.40) CNR2PARP1HTR6
SCHEMBL6895937 0.79 PARP1 (0.40) CNR2PARP1
SCHEMBL419017 0.77 JAK2 (0.43) CNR2PARP1
SCHEMBL6896271 0.72 PARP1 (0.37) CNR2PARP1
SCHEMBL420597 0.71 GNRHR (0.48)
SCHEMBL6897297 0.70 CNR2 (0.38) CNR2
SCHEMBL6893814 0.70 PARP1 (0.38) CNR2PARP1
SCHEMBL422578 0.69 PARP1 (0.39) PARP1
SCHEMBL10010656 0.69 CNR2 (0.36) CNR2PARP1CNR1

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 6 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-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
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 CNR2 128/4885PARP1 4099/4885HTR6 107/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 CNR2 128/4885PARP1 4099/4885HTR6 107/4885

“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.