SCHEMBL863407

SCHEMBL863407

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 4/20 0.40
HSD11B1 P28845 2/20 0.39
HRH3 Q9Y5N1 3/20 0.38
MCHR1 Q99705 2/20 0.36
GPR119 Q8TDV5 2/20 0.36
HTR2A P28223 1/20 0.35
GRIA2 P42262 1/20 0.34
ABCB1 P08183 1/20 0.33
HRH4 Q9H3N8 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
SCHEMBL863863 0.87 OTUD7B (0.37) OTUD7BHSD11B1HRH3GPR119
SCHEMBL10191806 0.85 GPR119 (0.38) HSD11B1GPR119
SCHEMBL863433 0.80 OPRD1 (0.43) OTUD7BHRH3
SCHEMBL863693 0.80 HRH3 (0.40) OTUD7BHRH3
SCHEMBL863866 0.80 HRH3 (0.47) HRH3
SCHEMBL864143 0.80 HRH3 (0.44) HRH3
SCHEMBL863421 0.79 HRH3 (0.44) HRH3
SCHEMBL1704229 0.78 HRH3 (0.38) OTUD7BHRH3
SCHEMBL864460 0.78 HRH3 (0.46) OTUD7BHRH3MCHR1HTR2A
SCHEMBL863667 0.77 HRH3 (0.45) HRH3

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.