SCHEMBL4148545

SCHEMBL4148545

Fc1ccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR1D P28221 2/20 0.42
GRIN2B Q13224 2/20 0.40
HRH3 Q9Y5N1 4/20 0.40
CYP17A1 P05093 3/20 0.40
CYP3A4 P08684 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP11B1 P15538 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FAAH O00519 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL4141125 0.88 HTR1A (0.47) HTR1AHTR7DRD2HTR2AHTR1D
SCHEMBL4130877 0.87 HTR1A (0.46) HTR1AHTR7DRD2HTR2AHTR1D
SCHEMBL4145248 0.87 GRIN2B (0.51) HTR1AHTR7HTR1DGRIN2BHRH3
SCHEMBL4136629 0.86 OPRM1 (0.44) HTR1AHTR7HTR1DGRIN2BHRH3
SCHEMBL4147479 0.86 FYN (0.44) HTR1AHTR7HTR1DGRIN2BHRH3
SCHEMBL4141143 0.86 OPRM1 (0.44) HTR1AHTR7HTR1DGRIN2BHRH3
SCHEMBL4132535 0.86 OPRM1 (0.44) HTR1AHTR7HTR1DGRIN2BHRH3
SCHEMBL4143276 0.84 CYP11B2 (0.42) HTR1AHTR7HTR1DGRIN2BHRH3
SCHEMBL4130376 0.84 HTR1A (0.43) HTR1AHTR7DRD2HTR2AHTR1D
SCHEMBL4133407 0.84 HTR1A (0.43) HTR1AHTR7DRD2HTR2AHTR1D

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 HTR1A 19/4885HTR7 7/4885DRD2 197/4885

“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.