SCHEMBL3410036

SCHEMBL3410036

CC[Si](CC)(CC)c1[nH]c2ccccc2c1CCCC1(O)CCC(c2cccs2)(N(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.41
OPRL1 P41146 14/20 0.41
DRD2 P14416 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR6 P50406 2/20 0.34
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HTR1A P08908 1/20 0.33
DRD4 P21917 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR1F P30939 1/20 0.33
HTR7 P34969 1/20 0.33
DRD3 P35462 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 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
SCHEMBL4112336 0.85 OPRM1 (0.50) OPRM1OPRL1OPRD1OPRK1
SCHEMBL3412042 0.82 OPRM1 (0.49) OPRM1OPRL1DRD2HTR2AHTR2C
SCHEMBL4115681 0.78 OPRM1 (0.52) OPRM1OPRL1OPRD1OPRK1
SCHEMBL3411170 0.78 OPRM1 (0.44) OPRM1OPRL1DRD2HTR2AHTR2C
SCHEMBL3432646 0.78 SLC6A4 (0.49) OPRM1OPRL1HTR2AHTR2CHTR6
SCHEMBL3404653 0.77 OPRM1 (0.45) OPRM1OPRL1HTR6OPRD1OPRK1
SCHEMBL3409046 0.73 OPRM1 (0.41) OPRM1OPRL1DRD2HTR2AHTR2C
SCHEMBL3405263 0.70 OPRM1 (0.47) OPRM1OPRL1OPRD1OPRK1
SCHEMBL3405264 0.70 OPRM1 (0.47) OPRM1OPRL1OPRD1OPRK1
SCHEMBL1119671 0.69 OPRM1 (0.44) OPRM1OPRL1DRD2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288430-B2 Spiro(5.5)undecane derivatives GRUNENTHAL GMBH (DE) 2012-10-16 US disclosed
EP-2257526-B1 SPIRO(5.5)UNDECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-12-14 EP disclosed
EP-2257526-A1 SPIRO(5.5)UNDECANE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP disclosed
WO-2009118169-A1 SPIRO(5.5)UNDECANE DERIVATIVES Grünenthal GmbH (DE) 2009-10-01 WO disclosed
US-20090247505-A1 SPIRO(5.5)UNDECANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 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-20090247505-A1 SPIRO(5.5)UNDECANE DERIVATIVES OPRL1, OPRD1, OPRM1 OPRM1 3/4885OPRL1 1/4885DRD2 263/4885

“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.