SCHEMBL3570145

SCHEMBL3570145

CN(C)C1(C2CCCCC2)CCC2(CC1)NCCc1c2[nH]c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
OPRM1 P35372 12/20 0.62
OGFRL1 Q5TC84 9/20 0.62
OPRL1 P41146 4/20 0.62
KMT2A Q03164 2/20 0.48
CFTR P13569 3/20 0.44
CDK8 P49336 1/20 0.40
NTRK3 Q16288 1/20 0.40
LPAR1 Q92633 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
CRHBP P24387 1/20 0.38
MAPK1 P28482 1/20 0.38
CRHR2 Q13324 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL3566512 0.99 OPRM1 (0.64) LMNAOPRM1OGFRL1OPRL1KMT2A
Citric Acid SCHEMBL4442424 0.87 OPRM1 (0.51) LMNAOPRM1OGFRL1OPRL1KMT2A
SCHEMBL8323918 0.80 LMNA (0.97) LMNAOPRM1OGFRL1OPRL1KMT2A
SCHEMBL3560930 0.79 OPRM1 (0.63) LMNAOPRM1OGFRL1OPRL1KMT2A
SCHEMBL998281 0.79 LMNA (0.94) LMNAOPRM1OGFRL1OPRL1KMT2A
SCHEMBL3562995 0.78 OPRM1 (0.64) LMNAOPRM1OGFRL1OPRL1KMT2A
SCHEMBL517133 0.77 OPRM1 (1.00) LMNAOPRM1OGFRL1OPRL1OPRD1
SCHEMBL10038853 0.77 OPRM1 (1.00) LMNAOPRM1OGFRL1OPRL1OPRD1
SCHEMBL3564418 0.77 OPRM1 (0.77) LMNAOPRM1OGFRL1OPRL1KMT2A
SCHEMBL10051500 0.76 LMNA (0.69) LMNAOPRM1OGFRL1OPRL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048554-A1 Spirocyclic Cyclohexane Compounds GRUENENTHAL GMBH (DE) 2010-02-25 US claimed
EP-2121689-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-07-31 EP 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-8404740-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2013-03-26 US 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
US-20100048554-A1 Spirocyclic Cyclohexane Compounds GRUENENTHAL GMBH (DE) 2010-02-25 US disclosed
US-20100048554-A1 Spirocyclic Cyclohexane Compounds GRUENENTHAL GMBH (DE) 2010-02-25 US 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
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 LMNA 1724/4885OPRM1 4/4885OGFRL1 5/4885

“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.