SCHEMBL4135445

SCHEMBL4135445

COc1ccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HRH3 Q9Y5N1 3/20 0.44
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
CYP11B2 P19099 1/20 0.40
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
HTR1D P28221 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL4135443 1.00 ALDH1A1 (0.47) ALDH1A1HRH3CYP2D6CYP2C19HTR2C
SCHEMBL4141014 1.00 ALDH1A1 (0.47) ALDH1A1HRH3CYP2D6CYP2C19HTR2C
SCHEMBL4128005 0.89 CD274 (0.50) ALDH1A1HRH3HTR2CHTR2BDRD3
SCHEMBL4129108 0.87 HRH3 (0.52) ALDH1A1HRH3CYP2D6CYP2C19HTR2C
SCHEMBL4152777 0.87 ALDH1A1 (0.45) ALDH1A1HRH3CYP11B2
SCHEMBL4141993 0.86 HTR1D (0.38) ALDH1A1HRH3CYP2D6HTR1D
SCHEMBL4148823 0.86 HTR2A (0.41) ALDH1A1HRH3CYP2D6HTR2CCYP11B2
SCHEMBL4127181 0.85 ALDH1A1 (0.41) ALDH1A1HTR2CHTR2BCYP11B2DRD2
SCHEMBL4144848 0.85 ALDH1A1 (0.39) ALDH1A1HRH3CYP2D6CYP2C19HTR2C
SCHEMBL4135983 0.85 ALDH1A1 (0.40) ALDH1A1HRH3HTR2CHTR2BCYP11B2

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 4 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
EP-2007749-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR Pfizer Products Inc. (US) 2008-12-31 EP disclosed
WO-2007105053-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-09-20 WO 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 1667/4885HRH3 1/4885CYP2D6 1777/4885

“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.