SCHEMBL4136956

SCHEMBL4136956

CC1CCCN1C1CCc2cc(-c3ccc(C(C)(C)C)cc3)ccc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.38
KCNH2 Q12809 5/20 0.38
TP53 P04637 1/20 0.36
ACHE P22303 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ASIC3 Q9UHC3 1/20 0.33
MCHR1 Q99705 3/20 0.32
SCN5A Q14524 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4139561 0.89 MCHR1 (0.40) HRH3KCNH2ASIC3MCHR1TMEM97
SCHEMBL4142343 0.86 HRH3 (0.40) HRH3KCNH2ASIC3CYP1A2CYP3A4
SCHEMBL4140206 0.86 HRH3 (0.40) HRH3KCNH2ALDH1A1LMNANPSR1
SCHEMBL4136847 0.85 HRH3 (0.39) HRH3KCNH2
SCHEMBL4141039 0.85 HRH3 (0.45) HRH3KCNH2ALDH1A1MCHR1CYP3A4
SCHEMBL4142298 0.85 HRH3 (0.39) HRH3KCNH2HPGDASIC3MCHR1
SCHEMBL4139788 0.84 CYP11B2 (0.39) HRH3KCNH2ALDH1A1LMNAASIC3
SCHEMBL4139793 0.84 CYP11B2 (0.39) HRH3KCNH2ALDH1A1LMNAASIC3
SCHEMBL4129121 0.84 HRH3 (0.39) HRH3KCNH2ASIC3TMEM97SIGMAR1
SCHEMBL4140086 0.84 KCNH2 (0.37) HRH3KCNH2ASIC3MCHR1TMEM97

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 HRH3 1/4885KCNH2 657/4885TP53 4132/4885

“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.