SCHEMBL4127215

SCHEMBL4127215

CCc1ccccc1-c1ccc2c(c1)CCC(N1CCCC1C)C2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.38
HRH3 Q9Y5N1 4/20 0.37
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
HTR2C P28335 2/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 3/20 0.34
KDM6B O15054 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
TRPA1 O75762 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
HSD17B3 P37058 1/20 0.32
FFAR4 Q5NUL3 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
SCHEMBL4131506 0.90 HSD17B3 (0.40) MCHR1HRH3HTR2CHTR2AKCNH2
SCHEMBL4148990 0.86 HRH3 (0.36) MCHR1HRH3HTR2CHTR2AKCNH2
SCHEMBL4135556 0.85 CD274 (0.38) HRH3HTR2CHTR2AKCNH2ASIC3
SCHEMBL4127461 0.85 HTR2C (0.51) HRH3HTR2CHTR2A
SCHEMBL4128118 0.84 PDK1 (0.42) MCHR1HRH3HTR2CHTR2AKCNH2
SCHEMBL4127329 0.84 HTR1A (0.42) MCHR1HRH3HTR2CHTR2AKCNH2
SCHEMBL4145725 0.84 HTR1A (0.44) MCHR1OPRM1OPRK1OPRL1HTR2C
SCHEMBL4142012 0.83 PDK1 (0.43) HRH3HTR2CHTR2AHSD17B3
SCHEMBL4144492 0.83 HSD17B3 (0.42) HRH3KCNH2ASIC3HSD17B3
SCHEMBL4142343 0.83 HRH3 (0.40) HRH3KCNH2ASIC3

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 1/4885OPRM1 324/4885

“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.