SCHEMBL3564045

SCHEMBL3564045

CCCCC1(N2CCN(C)CC2)CCC(=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
SIGMAR1 Q99720 2/20 0.33
HCN1 O60741 4/20 0.31
HCN4 Q9Y3Q4 3/20 0.31
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31
GAA P10253 1/20 0.31
RAD52 P43351 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX5 P09917 2/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL733522 0.87 SLC6A5 (0.32) ALOX5
SCHEMBL3576920 0.83 CRHBP (0.34) TP53SIGMAR1CHRM2KMT2AHTT
SCHEMBL14279647 0.76 GAA (0.36) TP53SIGMAR1GAARAD52KMT2A
SCHEMBL11131038 0.76 SIRT2 (0.31)
Ethylene SCHEMBL11120166 0.74
SCHEMBL3578626 0.73 KMT2A (0.34) TP53KMT2A
SCHEMBL9356126 0.73 HSD17B10 (0.36) GAAALOX5
SCHEMBL735929 0.71 KMT2A (0.43) TP53SIGMAR1HCN1HCN4GAA
Ethylene SCHEMBL11118708 0.70 MEN1 (0.31) KMT2A
SCHEMBL9356226 0.70 HSD17B10 (0.34) GAA

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
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
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 TP53 4717/4885SIGMAR1 8/4885HCN1 943/4885

“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.