SCHEMBL4131506

SCHEMBL4131506

CC1CCCN1C1CCc2cc(-c3ccccc3CO)ccc2C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.40
MAP4K1 Q92918 1/20 0.35
HRH3 Q9Y5N1 4/20 0.35
FPR1 P21462 2/20 0.35
FPR2 P25090 2/20 0.35
CYP11B2 P19099 1/20 0.35
PDK2 Q15119 2/20 0.34
MCHR1 Q99705 3/20 0.34
KCNH2 Q12809 1/20 0.33
TRPV1 Q8NER1 3/20 0.33
HTR2C P28335 2/20 0.32
HTR2A P28223 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32

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
SCHEMBL4127215 0.90 MCHR1 (0.38) HSD17B3HRH3MCHR1KCNH2HTR2C
SCHEMBL4148990 0.88 HRH3 (0.36) HRH3CYP11B2MCHR1KCNH2HTR2C
SCHEMBL4135556 0.84 CD274 (0.38) HRH3KCNH2HTR2CHTR2AASIC3
SCHEMBL4148840 0.84 ASIC3 (0.37) HRH3CYP11B2KCNH2HTR2CASIC3
SCHEMBL4128118 0.84 PDK1 (0.42) HRH3PDK2MCHR1KCNH2HTR2C
SCHEMBL4127329 0.84 HTR1A (0.42) HRH3CYP11B2MCHR1KCNH2HTR2C
SCHEMBL4141665 0.83 HTR1A (0.44) HSD17B3MAP4K1CYP11B2PDK2
SCHEMBL4142012 0.83 PDK1 (0.43) HSD17B3HRH3CYP11B2PDK2HTR2C
SCHEMBL4147612 0.82 HRH3 (0.43) HRH3MCHR1KCNH2HTR2CHTR2A
SCHEMBL4144492 0.82 HSD17B3 (0.42) HSD17B3HRH3PDK2KCNH2ASIC3

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 3 patents. 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
EP-2007749-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR Pfizer Products Inc. (US) 2008-12-31 EP claimed
WO-2007105053-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-09-20 WO 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 HSD17B3 398/4885MAP4K1 2799/4885HRH3 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.