SCHEMBL3566711

SCHEMBL3566711

CCC1(N(C)C)CCC(=O)CC1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL10355690 0.79
SCHEMBL1046054 0.79 OPRM1 (0.47) LMNA
SCHEMBL12861376 0.74 LMNA (0.31) LMNA
SCHEMBL10078986 0.74 LMNA (0.42) KMT2ALMNA
SCHEMBL10077890 0.74
SCHEMBL31563846 0.72 NFKB1 (0.35)
SCHEMBL320036 0.72 MEN1 (0.34) TSHRNPSR1MEN1CYP2C9KMT2A
SCHEMBL10078318 0.72 LMNA (0.46) KMT2ALMNA
SCHEMBL3564592 0.71 OPRM1 (0.50)
SCHEMBL3573332 0.70 OPRM1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101622255-B Spirocyclic cyclohexane derivatives GRUENENTHAL GMBH 2013-12-11 CN disclosed
CN-101490055-B Spirocyclic azaindole derivatives GRUENENTHAL GMBH 2013-10-16 CN disclosed
EP-2041142-B1 SPIROCYCLIC AZAINDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-10-09 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-8399503-B2 Spirocyclic azaindole derivatives GRUENENTHAL GMBH (DE) 2013-03-19 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
CN-101490055-A Spirocyclic azaindole derivatives GRUENENTHAL GMBH (DE) 2009-07-22 CN disclosed
US-20090156593-A1 Spirocyclic Azaindole Derivatives GRUNENTHAL GMBH (DE) 2009-06-18 US disclosed
EP-2041142-A1 SPIROCYCLIC AZAINDOLE DERIVATIVES Grünenthal GmbH (DE) 2009-04-01 EP disclosed
WO-2008101659-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2008-08-28 WO disclosed
WO-2008009416-A1 SPIROCYCLIC AZAINDOLE DERIVATIVES Grünenthal GmbH (DE) 2008-01-24 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 (2 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 TSHR 1113/4885NPSR1 134/4885MEN1 3242/4885
US-20090156593-A1 Spirocyclic Azaindole Derivatives AZI2, TPMT, AADAC TSHR 2673/4885NPSR1 820/4885MEN1 782/4885

“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.