SCHEMBL4140801

SCHEMBL4140801

COc1c(C)cc(-c2ccc3c(c2)CCC(N2CCCC2C)C3)cc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.34
KCNH2 Q12809 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CYP2B6 P20813 1/20 0.34
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
MAPT P10636 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ASIC3 Q9UHC3 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
HTR2C P28335 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
SCHEMBL4152825 0.89 L3MBTL1 (0.38) HRH3KCNH2ALDH1A1
SCHEMBL4145313 0.89 CRHBP (0.44) HRH3KCNH2CYP1A2CYP3A4CYP2C9
SCHEMBL4130044 0.87 HRH3 (0.37) HRH3KCNH2CYP1A2CYP3A4CYP2C9
SCHEMBL4143136 0.85 OPRM1 (0.40) HRH3KCNH2CYP11B2ALDH1A1OPRM1
SCHEMBL4128725 0.85 OPRM1 (0.40) HRH3KCNH2CYP11B2ALDH1A1OPRM1
SCHEMBL4128730 0.85 OPRM1 (0.40) HRH3KCNH2CYP11B2ALDH1A1OPRM1
SCHEMBL4143141 0.85 OPRM1 (0.40) HRH3KCNH2CYP11B2ALDH1A1OPRM1
SCHEMBL4128728 0.85 OPRM1 (0.40) HRH3KCNH2CYP11B2ALDH1A1OPRM1
SCHEMBL4139649 0.85 HRH3 (0.37) HRH3KCNH2CYP1A2CYP3A4CYP2C9
SCHEMBL4152600 0.84 PDE4B (0.40) ALDH1A1

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 HRH3 1/4885KCNH2 657/4885CYP1A2 1220/4885

“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.