SCHEMBL4136104

SCHEMBL4136104

CC1CCCN1C1CCc2cc(-c3cc(F)ccc3Cl)ccc2C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.36
HRH3 Q9Y5N1 9/20 0.36
KCNH2 Q12809 5/20 0.36
RORC P51449 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
CHRM3 P20309 3/20 0.35
OPRM1 P35372 1/20 0.34
PDK1 Q15118 3/20 0.33
PDK2 Q15119 3/20 0.33
PDK3 Q15120 3/20 0.33
PDK4 Q16654 3/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL4136693 0.89 MCHR1 (0.41) MCHR1HRH3KCNH2HTR1DHTR1B
SCHEMBL4130994 0.87 HRH3 (0.41) MCHR1HRH3KCNH2HTR1DHTR1B
SCHEMBL4136315 0.86 HRH3 (0.39) MCHR1HRH3KCNH2HTR1DHTR1B
SCHEMBL4128118 0.86 PDK1 (0.42) MCHR1HRH3KCNH2PDK1PDK2
SCHEMBL4135531 0.85 S1PR1 (0.42) MCHR1HRH3KCNH2
SCHEMBL4141039 0.85 HRH3 (0.45) MCHR1HRH3KCNH2HTR1DHTR1B
SCHEMBL4141821 0.84 ALDH1A1 (0.39) MCHR1HRH3KCNH2
SCHEMBL4139723 0.84 MCHR1 (0.37) MCHR1HRH3KCNH2CHRM3OPRM1
SCHEMBL4141241 0.84 PGR (0.39) MCHR1HRH3KCNH2CHRM3HTR2A
SCHEMBL4145262 0.83 PDK1 (0.43) HRH3KCNH2OPRM1PDK1PDK2

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 MCHR1 287/4885HRH3 1/4885KCNH2 657/4885

“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.