SCHEMBL4135983

SCHEMBL4135983

COc1ccc(-c2ccc3c(c2)CCC(N2CC(F)C(F)C2)C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
CYP11B2 P19099 2/20 0.39
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
MCHR1 Q99705 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ACHE P22303 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP26A1 O43174 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP2B6 P20813 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 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
SCHEMBL4127181 0.88 ALDH1A1 (0.41) ALDH1A1CYP11B2DRD2DRD3MCHR1
SCHEMBL4141014 0.85 ALDH1A1 (0.47) ALDH1A1CYP11B2DRD2DRD3HRH3
SCHEMBL4135445 0.85 ALDH1A1 (0.47) ALDH1A1CYP11B2DRD2DRD3HRH3
SCHEMBL4135443 0.85 ALDH1A1 (0.47) ALDH1A1CYP11B2DRD2DRD3HRH3
SCHEMBL4152777 0.80 ALDH1A1 (0.45) ALDH1A1CYP11B2HRH3MTNR1B
SCHEMBL4143141 0.78 OPRM1 (0.40) ALDH1A1CYP11B2DRD2DRD3MCHR1
SCHEMBL4128730 0.78 OPRM1 (0.40) ALDH1A1CYP11B2DRD2DRD3MCHR1
SCHEMBL4143136 0.78 OPRM1 (0.40) ALDH1A1CYP11B2DRD2DRD3MCHR1
SCHEMBL4128725 0.78 OPRM1 (0.40) ALDH1A1CYP11B2DRD2DRD3MCHR1
SCHEMBL4128728 0.78 OPRM1 (0.40) ALDH1A1CYP11B2DRD2DRD3MCHR1

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 2 patents. 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
US-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US disclosed

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 ALDH1A1 1667/4885CYP11B2 745/4885DRD2 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.