SCHEMBL4130044

SCHEMBL4130044

Cc1ccc(-c2ccc3c(c2)CCC(N2CCCC2C)C3)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.37
KCNH2 Q12809 6/20 0.37
ASIC3 Q9UHC3 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
MCHR1 Q99705 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CYP2B6 P20813 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4140976 0.89 MCHR1 (0.36) HRH3KCNH2ASIC3MCHR1CYP1A2
SCHEMBL4140206 0.89 HRH3 (0.40) HRH3KCNH2ASIC3HTR2AHTR2C
SCHEMBL4139649 0.88 HRH3 (0.37) HRH3KCNH2ASIC3MCHR1CYP1A2
SCHEMBL4145313 0.87 CRHBP (0.44) HRH3KCNH2HTR2CHTR2BCYP1A2
SCHEMBL4140801 0.87 HRH3 (0.34) HRH3KCNH2ASIC3HTR2CHTR2B
SCHEMBL4142343 0.86 HRH3 (0.40) HRH3KCNH2ASIC3CYP1A2CYP3A4
SCHEMBL4145105 0.86 HRH3 (0.34) HRH3KCNH2ASIC3HTR2AHTR2C
SCHEMBL4141100 0.85 HRH3 (0.38) HRH3KCNH2ASIC3CYP1A2CYP3A4
SCHEMBL4131343 0.85 ASIC3 (0.37) HRH3KCNH2ASIC3HTR2AHTR2C
SCHEMBL4142298 0.85 HRH3 (0.39) HRH3KCNH2ASIC3HTR2AHTR2C

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 HRH3 1/4885KCNH2 657/4885ASIC3 388/4885

“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.