SCHEMBL4136724

SCHEMBL4136724

CCOc1ccc(-c2ccc3c(c2)CCC(N2CCCC2C)C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH3 Q9Y5N1 7/20 0.39
KCNH2 Q12809 1/20 0.38
KMT2A Q03164 3/20 0.38
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
MEN1 O00255 2/20 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
SCHEMBL4135775 0.90 HTR2C (0.41) HTR2AHTR2CHRH3CYP1A2CYP11B1
SCHEMBL4143136 0.87 OPRM1 (0.40) HTR2CHRH3KCNH2CYP11B2ALDH1A1
SCHEMBL4143141 0.87 OPRM1 (0.40) HTR2CHRH3KCNH2CYP11B2ALDH1A1
SCHEMBL4128728 0.87 OPRM1 (0.40) HTR2CHRH3KCNH2CYP11B2ALDH1A1
SCHEMBL4128730 0.87 OPRM1 (0.40) HTR2CHRH3KCNH2CYP11B2ALDH1A1
SCHEMBL4128725 0.87 OPRM1 (0.40) HTR2CHRH3KCNH2CYP11B2ALDH1A1
SCHEMBL4135788 0.86 HRH3 (0.51) HRH3HRH1KDM4EALDH1A1GRIN2D
SCHEMBL4140221 0.85 MCHR1 (0.38) HRH3KCNH2
SCHEMBL4152745 0.84 HRH3 (0.46) HRH3KCNH2KMT2AALDH1A1MEN1
SCHEMBL4152815 0.84 GRIN2D (0.36) HRH3KCNH2CYP1A2CYP11B1CYP11B2

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 3 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
EP-2007749-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR Pfizer Products Inc. (US) 2008-12-31 EP claimed
WO-2007105053-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-09-20 WO 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 HTR2A 26/4885HTR2C 9/4885HRH3 1/4885

“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.