SCHEMBL4127461

SCHEMBL4127461

CCOc1ccccc1-c1ccc2c(c1)CCC(N1CCCC1C)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.51
HTR2A P28223 3/20 0.51
PTPRC P08575 1/20 0.43
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
DHFR P00374 1/20 0.38
CD274 Q9NZQ7 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRM2 Q14416 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NR3C1 P04150 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PDE5A O76074 2/20 0.35
PDE1A P54750 2/20 0.35
PDE1B Q01064 2/20 0.35

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
SCHEMBL4136060 0.89 HRH3 (0.43) HTR2CHTR2AHRH3
SCHEMBL4142012 0.88 PDK1 (0.43) HTR2CHTR2APTPRCMEN1TSHR
SCHEMBL4127215 0.85 MCHR1 (0.38) HTR2CHTR2AHRH3
SCHEMBL4136395 0.85 HTR2C (0.54) HTR2CHTR2APTPRCDHFRHRH3
SCHEMBL4148990 0.85 HRH3 (0.36) HTR2CHTR2AHRH3ALDH1A1CYP1A2
SCHEMBL4766770 0.84 S1PR1 (0.45) HTR2CHTR2AHRH3
SCHEMBL4136724 0.84 HTR2A (0.39) HTR2CHTR2AMEN1KMT2AHRH3
SCHEMBL4135556 0.84 CD274 (0.38) HTR2CHTR2AMEN1TSHRKMT2A
SCHEMBL4135775 0.83 HTR2C (0.41) HTR2CHTR2AHRH3KDM4EALDH1A1
SCHEMBL4128118 0.83 PDK1 (0.42) HTR2CHTR2ATSHRHRH3ALDH1A1

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 1 patent. 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

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 HTR2C 9/4885HTR2A 26/4885PTPRC 2373/4885

“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.