SCHEMBL4136008

SCHEMBL4136008

COCC1CCCN1C1CCc2cc(-c3cccc(C(=O)N(C)C)c3)ccc2C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.41
MCHR1 Q99705 3/20 0.40
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 2/20 0.38
OTUD7B Q6GQQ9 3/20 0.38
HCRTR2 O43614 5/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HCRTR1 O43613 3/20 0.37
BRD4 O60885 2/20 0.36
SGPL1 O95470 1/20 0.36
S1PR1 P21453 1/20 0.36
ERN1 O75460 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
SCHEMBL4144558 0.92 MCHR1 (0.41) DAGLAMCHR1HRH3
SCHEMBL4134993 0.89 FAAH (0.38) MCHR1
SCHEMBL4135208 0.83 KEAP1 (0.39) DAGLAMCHR1KEAP1NFE2L2OTUD7B
SCHEMBL4136377 0.81 HRH3 (0.52) DAGLAMCHR1KEAP1NFE2L2OTUD7B
SCHEMBL4136371 0.81 HRH3 (0.52) DAGLAMCHR1KEAP1NFE2L2OTUD7B
SCHEMBL4136270 0.81 BACE1 (0.38) HRH3
SCHEMBL4133535 0.81 HRH3 (0.43) MCHR1HRH3
SCHEMBL4136231 0.78 HRH3 (0.45) MCHR1KEAP1NFE2L2OTUD7BHRH3
SCHEMBL4140997 0.78 USP30 (0.39) HRH3
SCHEMBL4136050 0.77 CASP3 (0.39) HRH3

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 DAGLA 3031/4885MCHR1 287/4885KEAP1 2946/4885

“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.