SCHEMBL17678307

SCHEMBL17678307

CC1(C)OB(c2ccc3c(cnn3CCCN3CCCC3)c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.40
MCHR1 Q99705 17/20 0.40
MCHR2 Q969V1 4/20 0.38
P2RX7 Q99572 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL17678319 0.91 EGFR (0.41) IRAK4MCHR1MCHR2P2RX7
SCHEMBL17678140 0.91 IRAK4 (0.47) IRAK4MCHR1MCHR2P2RX7
SCHEMBL145462 0.85 HDAC3 (0.44) IRAK4MCHR1MCHR2
SCHEMBL17678143 0.84 IRAK4 (0.49) IRAK4MCHR1MCHR2
SCHEMBL17673663 0.83 IRAK4 (0.47) IRAK4MCHR1P2RX7KCNH2
SCHEMBL17678118 0.83 IRAK4 (0.46) IRAK4MCHR1P2RX7
SCHEMBL17678018 0.82 IRAK4 (0.45) IRAK4MCHR1P2RX7KCNH2
SCHEMBL15328953 0.81 IRAK4 (0.45) IRAK4
SCHEMBL2424027 0.80 IRAK4 (0.47) IRAK4
SCHEMBL23546459 0.79 IRAK4 (0.43) IRAK4MCHR1KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 IRAK4 3515/4885MCHR1 3488/4885MCHR2 3812/4885

“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.