SCHEMBL6897422

SCHEMBL6897422

CC1(C)OB(c2ccc3c(c2)nc2n3C3CCC2CN(C2CCC2)C3)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
OPRL1 P41146 2/20 0.33
PRKACA P17612 4/20 0.32
GSK3B P49841 3/20 0.32
RPS6KB1 P23443 3/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
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
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
ROCK1 Q13464 2/20 0.30
EP300 Q09472 1/20 0.30
OGFRL1 Q5TC84 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
SCHEMBL10298630 0.79 PRKACA (0.46) OPRM1OPRD1OPRK1OPRL1PRKACA
SCHEMBL17678111 0.78 KDM4E (0.52) PRKACAGSK3BRPS6KB1IRAK4KDM4E
SCHEMBL6895806 0.77 CYP11B2 (0.42) PRKACAGSK3BKDM4EALDH1A1MAPT
SCHEMBL10298626 0.75 PRKACA (0.39) OPRM1OPRD1OPRK1OPRL1PRKACA
SCHEMBL10012295 0.75 IRAK4 (0.31) IRAK4IDO1TDO2
SCHEMBL10010702 0.74 MAPT (0.55) IRAK4KDM4EALDH1A1MAPTIDO1
SCHEMBL419644 0.73 MAPT (0.44) IRAK4KDM4EALDH1A1MAPTIDO1
SCHEMBL6895803 0.73 IDO1 (0.32) OPRL1PRKACAGSK3BRPS6KB1IRAK4
SCHEMBL6893994 0.72 USP30 (0.41)
SCHEMBL6896441 0.72 ALDH1A1 (0.33) IRAK4KDM4EALDH1A1MAPTIDO1

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-2011031818-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-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 OPRM1 203/4885OPRD1 201/4885OPRK1 91/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 OPRM1 203/4885OPRD1 201/4885OPRK1 91/4885

“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.