SCHEMBL4132535

SCHEMBL4132535

Clc1ccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
OPRL1 P41146 2/20 0.44
HTR1D P28221 2/20 0.42
GRIN2B Q13224 2/20 0.40
HRH3 Q9Y5N1 3/20 0.40
ALDH1A1 P00352 1/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
FAAH O00519 1/20 0.37
FYN P06241 1/20 0.37
NOTUM Q6P988 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
SCHEMBL4141143 1.00 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1HTR1D
SCHEMBL4136629 1.00 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1HTR1D
SCHEMBL4139998 0.88 HRH3 (0.45) OPRM1OPRD1OPRK1OPRL1HTR1D
SCHEMBL4127798 0.87 HTR1D (0.41) OPRM1OPRD1OPRK1OPRL1HTR1D
SCHEMBL4145248 0.87 GRIN2B (0.51) OPRM1OPRD1OPRK1OPRL1HTR1D
SCHEMBL4130376 0.87 HTR1A (0.43) OPRM1OPRD1OPRK1OPRL1HTR1D
SCHEMBL4148545 0.86 HTR1A (0.44) HTR1DGRIN2BHRH3ALDH1A1HTR1A
SCHEMBL4147479 0.86 FYN (0.44) OPRK1HTR1DGRIN2BHRH3HTR1A
SCHEMBL4143276 0.84 CYP11B2 (0.42) HTR1DGRIN2BHRH3HTR1AHTR7
SCHEMBL4130877 0.84 HTR1A (0.46) OPRM1OPRD1OPRK1OPRL1HTR1D

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 2 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

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 207/4885OPRK1 188/4885

“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.