SCHEMBL4139561

SCHEMBL4139561

CC1CCCN1C1CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.40
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CTSD P07339 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
SIGMAR1 Q99720 3/20 0.37
KCNH2 Q12809 2/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
KIF11 P52732 1/20 0.36
TDP2 O95551 1/20 0.36
ASIC3 Q9UHC3 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CHKA P35790 1/20 0.34

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
SCHEMBL4140086 0.92 KCNH2 (0.37) MCHR1CHRNB2HTR2AHTR2CHTR2B
SCHEMBL4130668 0.90 ASIC3 (0.46) MCHR1HTR2AHTR2CHTR2BCTSD
SCHEMBL4136956 0.89 HRH3 (0.38) MCHR1HRH3SIGMAR1KCNH2ASIC3
SCHEMBL4139527 0.87 HTR2A (0.36) MCHR1HTR2AHTR2CHTR2BCTSD
SCHEMBL4141039 0.87 HRH3 (0.45) MCHR1HTR2CHRH3KCNH2
SCHEMBL4139793 0.86 CYP11B2 (0.39) MCHR1HRH3KCNH2ASIC3
SCHEMBL4139788 0.86 CYP11B2 (0.39) MCHR1HRH3KCNH2ASIC3
SCHEMBL4140206 0.85 HRH3 (0.40) MCHR1HTR2AHTR2CHTR2BHRH3
SCHEMBL4142343 0.85 HRH3 (0.40) CTSDHRH3KCNH2ASIC3
SCHEMBL4142298 0.84 HRH3 (0.39) MCHR1HTR2AHTR2CHRH3KCNH2

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 287/4885CHRNB2 297/4885CHRNA4 157/4885

“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.