SCHEMBL3566010

SCHEMBL3566010

CCCCC1(N(C)Cc2ccccc2)CCC(=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.46
OPRL1 P41146 7/20 0.46
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
MMP13 P45452 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
ELANE P08246 1/20 0.35
AOC3 Q16853 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
SCHEMBL3572314 0.79 OPRM1 (0.38) OPRM1OPRL1
SCHEMBL1046054 0.77 OPRM1 (0.47) OPRM1OPRL1
SCHEMBL22540282 0.74 OPRM1 (0.45) OPRM1OPRL1DDB1CRBNMEN1
SCHEMBL1303916 0.73 OPRM1 (0.44) OPRM1OPRL1DDB1CRBNMEN1
SCHEMBL208815 0.72 OPRM1 (0.58) OPRM1OPRL1DDB1CRBNMEN1
SCHEMBL10509430 0.69 MMP2 (0.43) OPRM1OPRL1MMP2MMP9MMP8
SCHEMBL3566012 0.69 SIGMAR1 (0.44) MMP2MMP9MMP8MMP13MEN1
SCHEMBL3571850 0.67 MEN1 (0.39) OPRM1OPRL1MMP2MMP9ALDH1A1
SCHEMBL3218308 0.67 OPRM1 (0.41) OPRM1OPRL1ALDH1A1MEN1CYP2C9
SCHEMBL3407753 0.66 SLC6A2 (0.46) OPRM1OPRL1DDB1CRBNALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101622255-B Spirocyclic cyclohexane derivatives GRUENENTHAL GMBH 2013-12-11 CN disclosed
EP-2121689-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-07-31 EP disclosed
US-8404740-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2013-03-26 US disclosed
US-20100048554-A1 Spirocyclic Cyclohexane Compounds GRUENENTHAL GMBH (DE) 2010-02-25 US disclosed
CN-101622255-A Spirocyclic cyclohexane derivatives GRUENENTHAL GMBH 2010-01-06 CN disclosed
EP-2121689-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2009-11-25 EP disclosed
WO-2008101659-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2008-08-28 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-20100048554-A1 Spirocyclic Cyclohexane Compounds OPRL1, OPRD1, OPRK1 OPRM1 4/4885OPRL1 1/4885DDB1 3268/4885

“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.