SCHEMBL4128005

SCHEMBL4128005

COc1cccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.50
PDCD1 Q15116 1/20 0.50
TMEM97 Q5BJF2 3/20 0.49
SIGMAR1 Q99720 3/20 0.49
HTR1A P08908 2/20 0.48
DRD4 P21917 2/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
SLC6A3 Q01959 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
DRD3 P35462 1/20 0.48
HRH3 Q9Y5N1 3/20 0.47
KDM2B Q8NHM5 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44

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
SCHEMBL4135445 0.89 ALDH1A1 (0.47) HTR2CHTR2BDRD3HRH3ALDH1A1
SCHEMBL4141014 0.89 ALDH1A1 (0.47) HTR2CHTR2BDRD3HRH3ALDH1A1
SCHEMBL4135443 0.89 ALDH1A1 (0.47) HTR2CHTR2BDRD3HRH3ALDH1A1
SCHEMBL4133459 0.87 HTR2C (0.44) CD274PDCD1TMEM97SIGMAR1HTR1A
SCHEMBL4136097 0.84 TMEM97 (0.46) CD274TMEM97SIGMAR1HTR1ADRD4
SCHEMBL4136458 0.84 HRH3 (0.45) SIGMAR1HTR1AHRH3KDM2B
SCHEMBL4145248 0.83 GRIN2B (0.51) HTR1AHRH3OPRK1
SCHEMBL4142046 0.82 HRH3 (0.56) TMEM97SIGMAR1HTR1ADRD4HTR2C
SCHEMBL4144848 0.82 ALDH1A1 (0.39) CD274PDCD1HTR2CHTR2BHRH3
SCHEMBL4141125 0.81 HTR1A (0.47) HTR1AHRH3KDM2BMCHR1

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 CD274 2909/4885PDCD1 3217/4885TMEM97 261/4885

“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.