SCHEMBL4145262

SCHEMBL4145262

CC1CCCN1C1CCc2cc(-c3ccc(Cl)cc3Cl)ccc2C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.43
PDK2 Q15119 2/20 0.43
PDK3 Q15120 2/20 0.43
PDK4 Q16654 2/20 0.43
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
OPRL1 P41146 8/20 0.36
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CCR4 P51679 1/20 0.35
CNR1 P21554 5/20 0.34
KCNH2 Q12809 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 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
SCHEMBL4139723 0.88 MCHR1 (0.37) PDK1PDK2PDK3PDK4HTR2A
SCHEMBL4128118 0.88 PDK1 (0.42) PDK1PDK2PDK3PDK4HTR2A
SCHEMBL4142298 0.87 HRH3 (0.39) HTR2AHTR2COPRL1KCNH2HRH3
SCHEMBL4140663 0.85 HTR2C (0.42) PDK1PDK2PDK3PDK4HTR2A
SCHEMBL4145536 0.84 CYP1A2 (0.36) PDK1PDK2PDK3PDK4KCNH2
SCHEMBL4141821 0.84 ALDH1A1 (0.39) KCNH2HRH3
SCHEMBL4133152 0.84 ASIC3 (0.40) OPRL1KCNH2HRH3OPRM1OPRD1
SCHEMBL4135842 0.83 CNR2 (0.43) PDK1PDK2PDK3PDK4CNR1
SCHEMBL4141241 0.83 PGR (0.39) HTR2AHTR2CCHRNB1CHRNB2CHRNB4
SCHEMBL4136104 0.83 MCHR1 (0.36) PDK1PDK2PDK3PDK4HTR2A

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 PDK1 3820/4885PDK2 2935/4885PDK3 2366/4885

“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.