SCHEMBL863863

SCHEMBL863863

CC(C1CCC1)N1CCC2(CC1)Cc1cc(-c3ccc(C#N)cc3)ccc1O2

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 2/20 0.37
HSD11B1 P28845 2/20 0.36
HRH3 Q9Y5N1 12/20 0.35
USP30 Q70CQ3 1/20 0.34
KCNH2 Q12809 2/20 0.34
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL10191767 0.87 HRH3 (0.36) HSD11B1HRH3GPR119
SCHEMBL863407 0.87 OTUD7B (0.40) OTUD7BHSD11B1HRH3GPR119
SCHEMBL7857089 0.86 HRH3 (0.36) HRH3KCNH2GPR119
SCHEMBL10191726 0.84 GPR119 (0.39) HRH3GPR119
SCHEMBL864606 0.84 GPR119 (0.38) HRH3GPR119
SCHEMBL863866 0.83 HRH3 (0.47) HRH3KCNH2
SCHEMBL1704229 0.82 HRH3 (0.38) OTUD7BHRH3KCNH2
SCHEMBL864143 0.81 HRH3 (0.44) HRH3KCNH2
SCHEMBL864124 0.81 OTUD7B (0.41) OTUD7BGPR119
SCHEMBL863667 0.80 HRH3 (0.45) HRH3KCNH2

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
EP-2440563-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2012-04-18 EP disclosed
US-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-03-29 US disclosed
US-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-03-29 US disclosed
US-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-03-29 US disclosed
WO-2010144571-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-12-16 WO disclosed
WO-2010144571-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-12-16 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 (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-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 OTUD7B 4390/4885HSD11B1 1672/4885HRH3 1/4885

“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.