SCHEMBL4136604

SCHEMBL4136604

NC(=O)c1ccc(-c2ccc3c(c2)CCC(N2CCCC(O)C2)C3)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.42
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
USP30 Q70CQ3 1/20 0.38
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
CYP11B2 P19099 2/20 0.36
DRD3 P35462 1/20 0.36
HSD11B1 P28845 1/20 0.35
FAAH O00519 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP11B1 P15538 1/20 0.35

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
SCHEMBL4135754 0.89 HRH3 (0.42) KDM2BALDH1A1GAAHRH3USP30
SCHEMBL4136522 0.82 USP30 (0.46) KDM2BUSP30CYP11B2DRD3
SCHEMBL4135762 0.81 PDE4A (0.41) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL4128738 0.80 USP30 (0.36) KDM2BALDH1A1HRH3USP30CYP11B2
SCHEMBL4127534 0.80 CYP11B2 (0.46) KDM2BHRH3USP30CYP11B2FAAH
SCHEMBL4136231 0.80 HRH3 (0.45) KDM2BHRH3USP30
SCHEMBL4143078 0.79 PDE4A (0.41) GAAHRH3USP30PDE4APDE4B
SCHEMBL4140118 0.79 TDP2 (0.45) HRH3CYP11B2FAAH
SCHEMBL4136321 0.79 TDP2 (0.45) HRH3CYP11B2FAAH
SCHEMBL4144270 0.79 TDP2 (0.45) HRH3CYP11B2FAAH

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 KDM2B 3965/4885ALDH1A1 1667/4885GAA 294/4885

“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.