SCHEMBL10012295

SCHEMBL10012295

CC1(C)OB(c2ccc3c(c2)nc2n3CC3CC2CN3C2CCC2)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
IDO1 P14902 1/20 0.30
TDO2 P48775 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
SCHEMBL10298621 0.80 PRKACA (0.41)
SCHEMBL6895521 0.77 HTR3A (0.38)
SCHEMBL6895803 0.76 IDO1 (0.32) IRAK4IDO1TDO2
SCHEMBL6896441 0.76 ALDH1A1 (0.33) IRAK4LPLLIPGIDO1TDO2
SCHEMBL6893945 0.76 HDAC1 (0.32)
SCHEMBL6897422 0.75 OPRM1 (0.33) IRAK4IDO1TDO2
SCHEMBL6896299 0.75 CYP11B2 (0.39) IRAK4
SCHEMBL6895523 0.73 HRH3 (0.39) IRAK4
SCHEMBL10010702 0.73 MAPT (0.55) IRAK4LPLLIPGIDO1TDO2
SCHEMBL17678111 0.73 KDM4E (0.52) IRAK4IDO1TDO2

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 2 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-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US 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 IRAK4 2383/4885LPL 3370/4885LIPG 2843/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 IRAK4 2383/4885LPL 3370/4885LIPG 2843/4885

“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.