SCHEMBL1044104

SCHEMBL1044104

OC(COc1ccccc1)C1CCC2(CC1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
IDO1 P14902 1/20 0.41
DRD4 P21917 4/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
ADAM17 P78536 1/20 0.37
MMP17 Q9ULZ9 1/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
ADRB2 P07550 1/20 0.35

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
SCHEMBL1044565 0.78 MEN1 (0.44) IDO1L3MBTL1GRIN1GRIN2BTSHR
SCHEMBL7809168 0.77 LMNA (0.50) LMNADRD4DRD2DRD3L3MBTL1
SCHEMBL1040738 0.76 OPRL1 (0.49) LMNA
SCHEMBL9998627 0.74 MEN1 (0.35) LMNAIDO1MMP2MMP3MMP13
SCHEMBL1044566 0.74 PRMT5 (0.44) IDO1
SCHEMBL1044607 0.74 LMNA (0.46) LMNADRD4DRD2DRD3L3MBTL1
SCHEMBL8990452 0.73 TSHR (0.43) LMNAIDO1L3MBTL1KDM4ECYP2D6
SCHEMBL11261051 0.73 LMNA (0.49) LMNADRD4DRD2DRD3L3MBTL1
SCHEMBL5523163 0.72 GPR119 (0.52) GPR119
SCHEMBL10569173 0.70 SLC6A2 (0.43) LMNAKDM4ECYP2D6TSHRHIF1A

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-2271613-B1 HYDROXYMETHYLCYCLOHEXYLAMINES GRUENENTHAL GMBH (DE) 2014-06-18 EP disclosed
US-8288406-B2 Hydroxymethylcyclohexylamines GRUENENTHAL GMBH (DE) 2012-10-16 US disclosed
US-20110059999-A1 Hydroxymethylcyclohexylamines Grünenthal GmbH (DE) 2011-03-10 US disclosed
EP-2271613-A1 HYDROXYMETHYLCYCLOHEXYL AMINES Grünenthal GmbH (DE) 2011-01-12 EP disclosed
WO-2009118171-A1 HYDROXYMETHYLCYCLOHEXYL AMINES Grünenthal GmbH (DE) 2009-10-01 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-20110059999-A1 Hydroxymethylcyclohexylamines OPRL1, OPRM1, OPRD1 LMNA 1253/4885IDO1 1561/4885DRD4 160/4885

“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.