SCHEMBL4135556

SCHEMBL4135556

Cc1ccccc1-c1ccc2c(c1)CCC(N1CCCC1C)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.38
DRD2 P14416 1/20 0.36
OPRD1 P41143 1/20 0.36
GRIA1 P42261 1/20 0.36
CACNG8 Q8WXS5 1/20 0.36
HRH3 Q9Y5N1 4/20 0.35
KCNH2 Q12809 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
ASIC3 Q9UHC3 1/20 0.34
ADORA1 P30542 1/20 0.34
CREBBP Q92793 1/20 0.34
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNB3 Q05901 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL4145172 0.91 CD274 (0.39) CD274DRD2OPRD1HRH3KCNH2
SCHEMBL4148990 0.89 HRH3 (0.36) HRH3KCNH2HTR2AHTR2CASIC3
SCHEMBL4141272 0.88 HRH3 (0.33) HRH3KCNH2ASIC3MEN1ALDH1A1
SCHEMBL4127329 0.87 HTR1A (0.42) OPRD1HRH3KCNH2HTR2AHTR2C
SCHEMBL4145105 0.87 HRH3 (0.34) HRH3KCNH2HTR2AHTR2CASIC3
SCHEMBL4128118 0.87 PDK1 (0.42) OPRD1HRH3KCNH2HTR2AHTR2C
SCHEMBL4131343 0.87 ASIC3 (0.37) DRD2GRIA1CACNG8HRH3KCNH2
SCHEMBL4142012 0.86 PDK1 (0.43) CD274OPRD1HRH3HTR2AHTR2C
SCHEMBL4142343 0.85 HRH3 (0.40) HRH3KCNH2ASIC3CYP1A2CYP3A4
SCHEMBL4136315 0.85 HRH3 (0.39) HRH3KCNH2HTR2C

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 CD274 2909/4885DRD2 197/4885OPRD1 207/4885

“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.