SCHEMBL2800461

SCHEMBL2800461

CC(C)(C)[Si](C)(C)OC1CCC(CO)(CCOCc2ccccc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.37
OPRM1 P35372 3/20 0.37
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
SLC6A2 P23975 1/20 0.37
PDE4A P27815 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
OPRL1 P41146 2/20 0.35
ALDH1A1 P00352 1/20 0.34
RECQL P46063 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
SCHEMBL2801258 0.82 ALDH1A1 (0.37) CHRM3OPRM1CHRM2CHRM1SLC6A2
SCHEMBL2800622 0.79 LMNA (0.43) OPRM1ALDH1A1RECQL
SCHEMBL22437368 0.78 TSHR (0.47) CHRM3OPRM1CHRM2CHRM1SLC6A2
SCHEMBL19032591 0.78 EPHX2 (0.40)
SCHEMBL2376304 0.77 PPM1D (0.40)
SCHEMBL19839361 0.76 TACR1 (0.37) OPRM1SLC6A4OPRL1
SCHEMBL4900900 0.76 CHRM3 (0.44) CHRM3OPRM1CHRM2CHRM1SLC6A2
SCHEMBL26649093 0.76 CHRM3 (0.44) CHRM3OPRM1CHRM2CHRM1SLC6A2
SCHEMBL31057226 0.74 LTA4H (0.51) ALDH1A1
SCHEMBL19839325 0.73 DGAT1 (0.38) OPRM1OPRL1

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-20100166819-A1 Transforming Growth Factor Modulators BIOGEN IDEC MA INC. A CORPORATION 2010-07-01 US disclosed
EP-1973914-A2 TRANSFORMING GROWTH FACTOR MODULATORS Biogen Idec MA Inc. (US) 2008-10-01 EP disclosed
WO-2007076086-A2 TRICYCLIC SPIRO COMPOUNDS USEFUL AS TRANSFORMING GROWTH FACTOR MODULATORS BIOGEN IDEC MA INC (US) 2007-07-05 WO 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-20100166819-A1 Transforming Growth Factor Modulators ACVR1, TGFBR1, ACVRL1 CHRM3 1030/4885OPRM1 1875/4885CHRM2 1137/4885

“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.