SCHEMBL4128730

SCHEMBL4128730

COc1ccc(-c2ccc3c(c2)CCC(N2CCCC2C)C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
HRH3 Q9Y5N1 3/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP11B2 P19099 1/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
MCHR1 Q99705 1/20 0.37

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
SCHEMBL4128725 1.00 OPRM1 (0.40) OPRM1OPRD1ALDH1A1HTR2CHTR2B
SCHEMBL4128728 1.00 OPRM1 (0.40) OPRM1OPRD1ALDH1A1HTR2CHTR2B
SCHEMBL4143136 1.00 OPRM1 (0.40) OPRM1OPRD1ALDH1A1HTR2CHTR2B
SCHEMBL4143141 1.00 OPRM1 (0.40) OPRM1OPRD1ALDH1A1HTR2CHTR2B
SCHEMBL4141975 0.97 OPRM1 (0.38) OPRM1OPRD1ALDH1A1HTR2CHTR2B
SCHEMBL4136097 0.90 TMEM97 (0.46) OPRM1OPRD1ALDH1A1HTR2CHTR2B
SCHEMBL4152745 0.87 HRH3 (0.46) ALDH1A1HRH3KCNH2MCHR1
SCHEMBL4152815 0.87 GRIN2D (0.36) ALDH1A1HRH3KCNH2CYP11B2
SCHEMBL4136724 0.87 HTR2A (0.39) ALDH1A1HTR2CHRH3KCNH2CYP11B2
SCHEMBL4152600 0.87 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 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
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
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 OPRM1 324/4885OPRD1 207/4885ALDH1A1 1667/4885

“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.