SCHEMBL4808864

SCHEMBL4808864

CC(C)CN1CCCC[C@H]1CN

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
CHRM3 P20309 1/20 0.34
TSHR P16473 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PIK3CD O00329 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4597568 1.00 HTT (0.35) HTTCHRM3TSHRCNR1CNR2
SCHEMBL7024922 0.94 CHRM3 (0.38) HTTCHRM3KDM4EPIK3CDL3MBTL1
SCHEMBL21870608 0.94 CHRM3 (0.38) HTTCHRM3KDM4EPIK3CDL3MBTL1
SCHEMBL10808055 0.94 CHRM3 (0.38) HTTCHRM3KDM4EPIK3CDL3MBTL1
SCHEMBL8234850 0.87 CYP1A2 (0.33) HTTCHRM3TSHRCNR1CNR2
SCHEMBL12039756 0.84 SLC6A9 (0.38) CHRM3TSHRCNR1CNR2CYP1A2
SCHEMBL17207528 0.84 TSHR (0.45) TSHRKDM4E
SCHEMBL27284632 0.82 KMT2A (0.43) CHRM3CNR1CNR2KDM4EL3MBTL1
SCHEMBL27282864 0.82 KMT2A (0.43) CHRM3CNR1CNR2KDM4EL3MBTL1
SCHEMBL13981439 0.82 KMT2A (0.43) CHRM3CNR1CNR2KDM4EL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335672-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-26 US disclosed
US-7335672-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-26 US disclosed
US-7335672-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-26 US disclosed
US-20060058308-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-03-16 US disclosed

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-20060058308-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 HTT 2811/4885CHRM3 318/4885TSHR 726/4885

“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.