SCHEMBL4127329

SCHEMBL4127329

CC1CCCN1C1CCc2cc(-c3ccccc3F)ccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
HRH3 Q9Y5N1 6/20 0.39
OPRD1 P41143 1/20 0.37
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
KCNH2 Q12809 4/20 0.36
MCHR1 Q99705 2/20 0.36
PTPRC P08575 1/20 0.35
PTPN1 P18031 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ASIC3 Q9UHC3 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
WNT1 P04628 1/20 0.33
DYRK1A Q13627 1/20 0.33
SLC6A9 P48067 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
ADORA1 P30542 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
SCHEMBL4148990 0.88 HRH3 (0.36) HRH3KCNH2MCHR1CYP11B1CYP11B2
SCHEMBL4131479 0.88 HRH3 (0.40) HTR1AHTR7HRH3KCNH2MCHR1
SCHEMBL4130994 0.88 HRH3 (0.41) HRH3KCNH2MCHR1HTR2ADYRK1A
SCHEMBL4136693 0.88 MCHR1 (0.41) HRH3KCNH2MCHR1CYP11B1CYP11B2
SCHEMBL4135556 0.87 CD274 (0.38) HTR1AHTR7HRH3OPRD1KCNH2
SCHEMBL4139723 0.87 MCHR1 (0.37) HRH3OPRD1KCNH2MCHR1HTR2A
SCHEMBL4128118 0.86 PDK1 (0.42) HRH3OPRD1KCNH2MCHR1ASIC3
SCHEMBL4140818 0.86 MCHR1 (0.39) OPRD1MCHR1ASIC3HTR2AHTR2C
SCHEMBL4142012 0.85 PDK1 (0.43) HTR7HRH3OPRD1PTPRCPTPN1
SCHEMBL4128192 0.85 HRH3 (0.39) HRH3KCNH2MCHR1CYP11B1CYP11B2

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 HTR1A 19/4885HTR7 7/4885HRH3 1/4885

“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.