SCHEMBL4135988

SCHEMBL4135988

Fc1cc(-c2ccc3c(c2)CCC(N2CCCC2)C3)ccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.49
HTR7 P34969 1/20 0.49
GRIN2B Q13224 2/20 0.43
NR2F2 P24468 1/20 0.41
FAAH O00519 1/20 0.40
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
OPRM1 P35372 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 2/20 0.37
OPRD1 P41143 1/20 0.37
HTR1D P28221 2/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL4145248 0.87 GRIN2B (0.51) HTR1AHTR7GRIN2BFAAHHRH3
SCHEMBL4133564 0.86 HTR1A (0.48) HTR1AHTR7GRIN2BFAAHL3MBTL3
SCHEMBL4130877 0.85 HTR1A (0.46) HTR1AHTR7GRIN2BFAAHDRD2
SCHEMBL4131479 0.83 HRH3 (0.40) HTR1AHTR7NR2F2HRH3CYP1A2
SCHEMBL4141125 0.83 HTR1A (0.47) HTR1AHTR7GRIN2BDRD2HTR2A
SCHEMBL4128063 0.81 HRH3 (0.54) HTR1AHTR7GRIN2BFAAHHRH3
SCHEMBL4148545 0.81 HTR1A (0.44) HTR1AHTR7GRIN2BFAAHDRD2
SCHEMBL4133407 0.79 HTR1A (0.43) HTR1AHTR7GRIN2BFAAHDRD2
SCHEMBL4130376 0.79 HTR1A (0.43) HTR1AHTR7GRIN2BDRD2HTR2A
SCHEMBL4136479 0.79 NAAA (0.51) HTR1AHTR7FAAHCYP11B1CYP11B2

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 7/4885GRIN2B 86/4885

“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.