SCHEMBL4136321

SCHEMBL4136321

NC(=O)c1cccc(-c2ccc3c(c2)CCC(N2CCC2)C3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.45
RORC P51449 1/20 0.45
CYP11B2 P19099 1/20 0.43
OGG1 O15527 1/20 0.42
FAAH O00519 2/20 0.41
HRH3 Q9Y5N1 2/20 0.40
TRPA1 O75762 1/20 0.40
EPHX2 P34913 1/20 0.40
FAAH2 Q6GMR7 1/20 0.40
MGLL Q99685 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
L3MBTL3 Q96JM7 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
ERN1 O75460 1/20 0.39
RIPK1 Q13546 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
PRF1 P14222 1/20 0.38

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
SCHEMBL4144270 0.98 TDP2 (0.45) TDP2RORCCYP11B2OGG1FAAH
SCHEMBL4140118 0.98 TDP2 (0.45) TDP2RORCCYP11B2OGG1FAAH
SCHEMBL4140115 0.98 TDP2 (0.45) TDP2RORCCYP11B2OGG1FAAH
SCHEMBL4135754 0.89 HRH3 (0.42) CYP11B2FAAHHRH3L3MBTL3
SCHEMBL4133418 0.87 L3MBTL3 (0.51) TDP2FAAHL3MBTL3L3MBTL1
SCHEMBL4128788 0.86 HRH3 (0.49) TDP2FAAHHRH3L3MBTL3L3MBTL1
SCHEMBL3323263 0.84 TDP2 (0.41) TDP2RORCCYP11B2OGG1FAAH
SCHEMBL3324704 0.84 TDP2 (0.41) TDP2RORCCYP11B2OGG1FAAH
SCHEMBL3324698 0.84 TDP2 (0.41) TDP2RORCCYP11B2OGG1FAAH
SCHEMBL4776492 0.83 GRIN2B (0.49) TDP2FAAHDPP4DPP8

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 TDP2 2982/4885RORC 281/4885CYP11B2 745/4885

“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.