SCHEMBL4136479

SCHEMBL4136479

COc1ccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)cc1F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 6/20 0.51
TDP2 O95551 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
ABHD6 Q9BV23 1/20 0.40
PTGS2 P35354 2/20 0.39
GALR1 P47211 1/20 0.39
FAAH O00519 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL4142775 0.87 PDE7A (0.42) NAAAFAAHALDH1A1GAA
SCHEMBL4130877 0.85 HTR1A (0.46) CYP3A4CYP11B1CYP11B2HTR1AHTR7
SCHEMBL4147542 0.84 SIGMAR1 (0.38) CYP3A4
SCHEMBL4139873 0.84 NAAA (0.46) NAAATDP2CYP3A4CYP11B1CYP11B2
SCHEMBL4141014 0.83 ALDH1A1 (0.47) CYP11B2ALDH1A1
SCHEMBL4135445 0.83 ALDH1A1 (0.47) CYP11B2ALDH1A1
SCHEMBL4135443 0.83 ALDH1A1 (0.47) CYP11B2ALDH1A1
SCHEMBL4136905 0.82 HTR7 (0.44) HTR1AHTR7ALDH1A1GAA
SCHEMBL4136665 0.82 HTR1A (0.46) HTR1AHTR7
SCHEMBL4133407 0.81 HTR1A (0.43) HTR1AHTR7FAAH

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 NAAA 1585/4885TDP2 2982/4885CYP3A4 1672/4885

“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.