SCHEMBL6895803

SCHEMBL6895803

CC1(C)OB(c2ccc3c(c2)nc2n3C3CC(C2)N(C2CCC2)C3)OC1(C)C

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
OPRL1 P41146 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
PRKACA P17612 2/20 0.31
GSK3B P49841 2/20 0.31
RPS6KB1 P23443 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ROCK1 Q13464 1/20 0.30

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
SCHEMBL6896441 0.78 ALDH1A1 (0.33) IDO1TDO2IRAK4KDM4EALDH1A1
SCHEMBL6895652 0.77 CYP11B2 (0.39) OPRL1OGFRL1PRKACAGSK3BRPS6KB1
SCHEMBL17678111 0.77 KDM4E (0.52) IDO1TDO2PRKACAGSK3BRPS6KB1
SCHEMBL10012295 0.76 IRAK4 (0.31) IDO1TDO2IRAK4
SCHEMBL10298620 0.76 PRKACA (0.38) OPRL1OGFRL1PRKACAGSK3BRPS6KB1
SCHEMBL6893935 0.74 OGFRL1 (0.46) OPRL1OGFRL1
SCHEMBL6897419 0.74 MAPT (0.42) IDO1TDO2IRAK4KDM4EALDH1A1
SCHEMBL6895697 0.74 MAPT (0.42) IDO1TDO2IRAK4KDM4EALDH1A1
SCHEMBL6895712 0.73 MAPT (0.39) IDO1TDO2IRAK4KDM4EALDH1A1
SCHEMBL10011272 0.73 MAPT (0.44) IDO1TDO2IRAK4KDM4EALDH1A1

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 8 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-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-2011031816-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO 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

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 IDO1 284/4885TDO2 1174/4885OPRL1 106/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 IDO1 284/4885TDO2 1174/4885OPRL1 106/4885

“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.