SCHEMBL1044566

SCHEMBL1044566

OC(CN1Cc2ccccc2C1)C1CCC2(CC1)OCCO2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 13/20 0.44
WDR77 Q9BQA1 13/20 0.44
IDO1 P14902 1/20 0.43
CARM1 Q86X55 2/20 0.40
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.39
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL1043474 0.75 OPRL1 (0.50) CARM1
SCHEMBL1044103 0.74 CARM1 (0.40) PRMT5WDR77CARM1ALDH1A1
SCHEMBL1045644 0.74 CARM1 (0.44) PRMT5WDR77IDO1CARM1
SCHEMBL1044565 0.74 MEN1 (0.44) IDO1ALDH1A1MAPT
SCHEMBL1044104 0.74 LMNA (0.41) IDO1
SCHEMBL6526308 0.73 ALDH1A1 (0.38) PRMT5WDR77IDO1ALDH1A1RECQL
SCHEMBL8990452 0.69 TSHR (0.43) IDO1CARM1ALDH1A1
SCHEMBL16256343 0.68 IDO1 (0.32) IDO1
SCHEMBL9998995 0.68 IDO1 (0.36) IDO1ALDH1A1
SCHEMBL9998627 0.67 MEN1 (0.35) IDO1ALDH1A1

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 PRMT5 673/4885WDR77 628/4885IDO1 1561/4885

“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.