SCHEMBL4145172

SCHEMBL4145172

Cc1cccc(-c2ccc3c(c2)CCC(N2CCCC2C)C3)c1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 5/20 0.39
DRD2 P14416 1/20 0.37
ASIC3 Q9UHC3 1/20 0.35
HRH3 Q9Y5N1 7/20 0.34
KCNH2 Q12809 1/20 0.34
HTR2C P28335 2/20 0.31
HTR2A P28223 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
HTR2B P41595 1/20 0.31
OPRD1 P41143 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL4135556 0.91 CD274 (0.38) CD274DRD2ASIC3HRH3KCNH2
SCHEMBL4131343 0.87 ASIC3 (0.37) DRD2ASIC3HRH3KCNH2HTR2C
SCHEMBL4148990 0.85 HRH3 (0.36) ASIC3HRH3KCNH2HTR2CHTR2A
SCHEMBL4135842 0.83 CNR2 (0.43) ASIC3HRH3KCNH2OPRD1
SCHEMBL4141272 0.83 HRH3 (0.33) ASIC3HRH3KCNH2SLC6A2SLC6A4
SCHEMBL4148840 0.83 ASIC3 (0.37) ASIC3HRH3KCNH2HTR2CSLC6A2
SCHEMBL4128118 0.83 PDK1 (0.42) ASIC3HRH3KCNH2HTR2CHTR2A
SCHEMBL4127329 0.83 HTR1A (0.42) ASIC3HRH3KCNH2HTR2CHTR2A
SCHEMBL4145105 0.83 HRH3 (0.34) ASIC3HRH3KCNH2HTR2CHTR2A
SCHEMBL4141100 0.83 HRH3 (0.38) DRD2ASIC3HRH3KCNH2

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 197/4885ASIC3 388/4885

“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.