SCHEMBL4131479

SCHEMBL4131479

CC1CCCN1C1CCc2cc(-c3ccc(-c4ccccc4)c(F)c3)ccc2C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.40
KCNH2 Q12809 4/20 0.38
NR2F2 P24468 1/20 0.38
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MCHR1 Q99705 3/20 0.35
ALDH1A1 P00352 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
TNK2 Q07912 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
ASIC3 Q9UHC3 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
SCHEMBL4142343 0.89 HRH3 (0.40) HRH3KCNH2CYP1A2CYP11B1CYP11B2
SCHEMBL4127329 0.88 HTR1A (0.42) HRH3KCNH2MCHR1HTR1AHTR7
SCHEMBL4148990 0.88 HRH3 (0.36) HRH3KCNH2MCHR1ALDH1A1CYP1A2
SCHEMBL4130994 0.87 HRH3 (0.41) HRH3KCNH2MCHR1
SCHEMBL4129121 0.87 HRH3 (0.39) HRH3KCNH2CYP1A2CYP11B1CYP11B2
SCHEMBL4128192 0.87 HRH3 (0.39) HRH3KCNH2MCHR1CYP11B1CYP11B2
SCHEMBL4132406 0.84 MCHR1 (0.37) HRH3KCNH2MCHR1HTR1AHTR7
SCHEMBL4135988 0.83 HTR1A (0.49) HRH3NR2F2HTR1AHTR7CYP1A2
SCHEMBL4142009 0.83 HRH3 (0.48) HRH3
SCHEMBL4141039 0.83 HRH3 (0.45) HRH3KCNH2MCHR1ALDH1A1CYP11B1

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 657/4885NR2F2 2342/4885

“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.