SCHEMBL4132406

SCHEMBL4132406

CC1CCCN1C1CCc2cc(-c3cccc(F)c3)ccc2C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.37
HRH3 Q9Y5N1 5/20 0.36
KCNH2 Q12809 2/20 0.36
ASIC3 Q9UHC3 1/20 0.36
OPRM1 P35372 1/20 0.36
GRM5 P41594 2/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
CYP1A2 P05177 2/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 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
SCHEMBL4128057 0.91 HRH3 (0.38) MCHR1HRH3KCNH2ASIC3OPRM1
SCHEMBL4141039 0.89 HRH3 (0.45) MCHR1HRH3KCNH2OPRM1HTR1D
SCHEMBL4129121 0.88 HRH3 (0.39) HRH3KCNH2ASIC3CYP11B1CYP11B2
SCHEMBL4142343 0.88 HRH3 (0.40) HRH3KCNH2ASIC3CYP11B1CYP11B2
SCHEMBL4141100 0.87 HRH3 (0.38) HRH3KCNH2ASIC3GRM5PARP10
SCHEMBL4135773 0.86 CYP11B1 (0.37) HRH3KCNH2ASIC3OPRM1CYP11B1
SCHEMBL4128192 0.86 HRH3 (0.39) MCHR1HRH3KCNH2ASIC3CYP11B1
SCHEMBL4130668 0.85 ASIC3 (0.46) MCHR1HRH3KCNH2ASIC3PARP10
SCHEMBL4131479 0.84 HRH3 (0.40) MCHR1HRH3KCNH2ASIC3CYP11B1
SCHEMBL4136097 0.84 TMEM97 (0.46) MCHR1HRH3OPRM1CYP11B1CYP11B2

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.