SCHEMBL1044607

SCHEMBL1044607

O=C1CCC(C(O)COc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
DRD4 P21917 4/20 0.42
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP2D6 P10635 2/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
SCN1A P35498 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
MCHR1 Q99705 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
SCHEMBL7809168 0.82 LMNA (0.50) LMNAL3MBTL1DRD4DRD2DRD3
SCHEMBL1043925 0.76 PKM (0.41) LMNACYP2D6
SCHEMBL5525582 0.75 CARM1 (0.48)
SCHEMBL10569173 0.75 SLC6A2 (0.43) LMNAKDM4ECYP2D6TSHRHIF1A
SCHEMBL13389835 0.74 NPC1 (0.54) LMNADRD4DRD2DRD3
SCHEMBL1044104 0.74 LMNA (0.41) LMNAL3MBTL1DRD4DRD2DRD3
SCHEMBL9997989 0.73 THRB (0.34) CYP2D6
Hydrochloric Acid SCHEMBL10565500 0.73 SLC6A2 (0.44) LMNAL3MBTL1CYP2D6
SCHEMBL1042779 0.72 LMNA (0.37) LMNAKDM4EMTNR1AMTNR1B
SCHEMBL1040738 0.72 OPRL1 (0.49) LMNA

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 1253/4885L3MBTL1 1641/4885DRD4 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.