SCHEMBL3405972

SCHEMBL3405972

CN(C)C1(c2ccccc2)CCC(O)(CCCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.60
OPRM1 P35372 11/20 0.59
SLC6A4 P31645 1/20 0.54
HTR1A P08908 3/20 0.50
HTR2A P28223 3/20 0.50
HTR2C P28335 3/20 0.50
HTR2B P41595 3/20 0.50
OPRD1 P41143 2/20 0.47
OPRK1 P41145 2/20 0.47
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
MAOA P21397 2/20 0.47
ADRA1D P25100 2/20 0.47
HTR1B P28222 2/20 0.47
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
HTR7 P34969 2/20 0.47
ADRA1A P35348 2/20 0.47
HRH1 P35367 2/20 0.47

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
SCHEMBL4121807 0.89 MAPT (0.49) OPRL1OPRM1SLC6A4HTR1AHTR2A
SCHEMBL3412128 0.87 HTR6 (0.52) OPRL1OPRM1SLC6A4OPRD1OPRK1
SCHEMBL4110049 0.87 OPRM1 (0.63) OPRL1OPRM1SLC6A4HTR1A
SCHEMBL3432646 0.84 SLC6A4 (0.49) OPRL1OPRM1SLC6A4HTR1AHTR2A
SCHEMBL3433096 0.82 SLC6A4 (0.52) OPRL1OPRM1SLC6A4HTR1AHTR2A
SCHEMBL3433060 0.80 OPRL1 (0.56) OPRL1OPRM1SLC6A4HTR1AHTR2A
SCHEMBL3433063 0.80 OPRL1 (0.56) OPRL1OPRM1SLC6A4HTR1AHTR2A
SCHEMBL3409443 0.80 HTR2A (0.48) OPRM1SLC6A4HTR1AHTR2AHTR2C
SCHEMBL4112336 0.75 OPRM1 (0.50) OPRL1OPRM1OPRD1OPRK1
SCHEMBL5165585 0.75 OPRL1 (0.69) OPRL1OPRM1SLC6A4HTR1AHTR2A

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 OPRL1 1/4885OPRM1 3/4885SLC6A4 1034/4885

“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.