SCHEMBL4144558

SCHEMBL4144558

COCC1CCCN1C1CCc2cc(-c3ccc(C(=O)N(C)C)cc3)ccc2C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.41
KCNH2 Q12809 5/20 0.41
HTR1A P08908 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HTR2C P28335 1/20 0.38
DAGLA Q9Y4D2 1/20 0.37
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 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
SCHEMBL4136008 0.92 DAGLA (0.41) MCHR1HRH3DAGLA
SCHEMBL4133535 0.87 HRH3 (0.43) MCHR1KCNH2HRH3HDAC8HDAC6
SCHEMBL4134993 0.82 FAAH (0.38) MCHR1HDAC6
SCHEMBL4140997 0.82 USP30 (0.39) KCNH2HRH3
SCHEMBL4136050 0.81 CASP3 (0.39) KCNH2HRH3
SCHEMBL4143084 0.80 KCNH2 (0.47) MCHR1KCNH2HTR1AHRH3HTR2C
SCHEMBL4136270 0.77 BACE1 (0.38) KCNH2HRH3
SCHEMBL4139555 0.77 GPR84 (0.40) KCNH2HRH3
SCHEMBL4149013 0.74 DRD3 (0.44) KCNH2HTR1AHRH3
SCHEMBL4143078 0.74 PDE4A (0.41) KCNH2HTR1AHRH3

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 MCHR1 287/4885KCNH2 657/4885HTR1A 19/4885

“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.