SCHEMBL4128631

SCHEMBL4128631

C[C@H]1CCCN1[C@@H]1CCc2cc(Br)ccc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
CYP11B2 P19099 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
ADRA2A P08913 4/20 0.40
PNMT P11086 4/20 0.40
ADRA2B P18089 3/20 0.40
ADRA2C P18825 3/20 0.40
MCHR1 Q99705 3/20 0.37
KCNH2 Q12809 3/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
CYP2C9 P11712 2/20 0.33
SRD5A1 P18405 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2B6 P20813 1/20 0.33

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
SCHEMBL4128624 1.00 FAAH (0.44) FAAHCYP11B2OPRM1OPRD1OPRK1
SCHEMBL4142184 1.00 FAAH (0.44) FAAHCYP11B2OPRM1OPRD1OPRK1
SCHEMBL4145589 1.00 FAAH (0.44) FAAHCYP11B2OPRM1OPRD1OPRK1
SCHEMBL4128627 1.00 FAAH (0.44) FAAHCYP11B2OPRM1OPRD1OPRK1
SCHEMBL4133345 1.00 FAAH (0.44) FAAHCYP11B2OPRM1OPRD1OPRK1
SCHEMBL4128623 1.00 FAAH (0.44) FAAHCYP11B2OPRM1OPRD1OPRK1
SCHEMBL4287122 1.00 FAAH (0.44) FAAHCYP11B2OPRM1OPRD1OPRK1
SCHEMBL4129135 0.84 SRD5A1 (0.39) MCHR1KCNH2HRH3SRD5A1HTR2A
SCHEMBL4142343 0.80 HRH3 (0.40) FAAHCYP11B2KCNH2HRH3CYP2C9
SCHEMBL4140206 0.80 HRH3 (0.40) CYP11B2MCHR1KCNH2HRH3CYP2C9

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 FAAH 217/4885CYP11B2 745/4885OPRM1 324/4885

“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.