SCHEMBL4136097

SCHEMBL4136097

COc1cccc(-c2ccc3c(c2)CCC(N2CCCC2C)C3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.46
SIGMAR1 Q99720 3/20 0.46
HTR1A P08908 2/20 0.45
DRD4 P21917 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
SLC6A3 Q01959 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
DRD3 P35462 1/20 0.45
HRH3 Q9Y5N1 2/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL4143136 0.90 OPRM1 (0.40) HTR2CHTR2BDRD3HRH3OPRM1
SCHEMBL4128728 0.90 OPRM1 (0.40) HTR2CHTR2BDRD3HRH3OPRM1
SCHEMBL4143141 0.90 OPRM1 (0.40) HTR2CHTR2BDRD3HRH3OPRM1
SCHEMBL4128730 0.90 OPRM1 (0.40) HTR2CHTR2BDRD3HRH3OPRM1
SCHEMBL4128725 0.90 OPRM1 (0.40) HTR2CHTR2BDRD3HRH3OPRM1
SCHEMBL4135775 0.88 HTR2C (0.41) TMEM97SIGMAR1HTR1ADRD4HTR2C
SCHEMBL4140975 0.87 USP30 (0.45) TMEM97SIGMAR1HRH3SLC6A4BACE1
SCHEMBL4141975 0.87 OPRM1 (0.38) HTR2CHTR2BHRH3OPRM1OPRD1
SCHEMBL4129121 0.86 HRH3 (0.39) TMEM97SIGMAR1SLC6A3HRH3SLC6A2
SCHEMBL4142343 0.86 HRH3 (0.40) HRH3BACE1CYP11B1CYP11B2

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 TMEM97 261/4885SIGMAR1 782/4885HTR1A 19/4885

“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.