SCHEMBL4149019

SCHEMBL4149019

c1ncc(-c2ccc3c(c2)CCC(N2CCOCC2)C3)cn1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 15/20 0.48
CYP1A2 P05177 4/20 0.41
CYP11B1 P15538 4/20 0.41
CYP11B2 P19099 4/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CDC42BPB Q9Y5S2 1/20 0.37

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
SCHEMBL4131537 0.87 CYP11B1 (0.43) IRAK4CYP1A2CYP11B1CYP11B2CYP3A4
SCHEMBL4147560 0.82 CYP11B1 (0.40) IRAK4CYP1A2CYP11B1CYP11B2CYP3A4
SCHEMBL4144743 0.79 PIK3CA (0.42) IRAK4CYP1A2CYP11B1CYP11B2CYP3A4
SCHEMBL4127534 0.79 CYP11B2 (0.46) CYP1A2CYP11B1CYP11B2CYP3A4CYP2C9
SCHEMBL4136683 0.77 JAK3 (0.51) CYP3A4
SCHEMBL24740620 0.77 GAA (0.43) IRAK4
SCHEMBL2085878 0.76 FAAH (0.54) IRAK4CYP11B2
SCHEMBL13102446 0.76 LMNA (0.44) IRAK4
SCHEMBL4135895 0.76 CYP11B1 (0.40) CYP1A2CYP11B1CYP11B2CYP3A4CYP2C9
SCHEMBL4141084 0.75 JAK2 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US claimed

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 IRAK4 1839/4885CYP1A2 1220/4885CYP11B1 810/4885

“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.