SCHEMBL6152306

SCHEMBL6152306

CC(C(=O)c1ccc(Oc2ccccc2)cc1)N1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.54
OPRM1 P35372 12/20 0.54
OPRK1 P41145 12/20 0.54
OPRD1 P41143 11/20 0.54
PARP10 Q53GL7 1/20 0.53
GRIN2B Q13224 2/20 0.52
CHRNA1 P02708 1/20 0.45
CHRNG P07510 1/20 0.45
CHRNB1 P11230 1/20 0.45
CHRNB2 P17787 1/20 0.45
SLC6A2 P23975 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CHRND Q07001 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
CYP2D6 P10635 1/20 0.44
GRIN1 Q05586 1/20 0.44

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
SCHEMBL8857324 0.87 OPRL1 (0.51) OPRL1OPRM1OPRK1OPRD1PARP10
SCHEMBL7330603 0.86 OPRL1 (0.50) OPRL1OPRM1OPRK1OPRD1GRIN2B
SCHEMBL6151815 0.86 GRIN2B (0.68) OPRL1OPRM1OPRK1OPRD1GRIN2B
SCHEMBL6690779 0.85 GRIN2B (0.50) OPRL1OPRM1OPRK1OPRD1PARP10
SCHEMBL6151725 0.85 GRIN2B (0.50) OPRL1OPRM1OPRK1OPRD1PARP10
SCHEMBL6152148 0.85 GRIN2B (0.50) OPRL1OPRM1OPRK1OPRD1PARP10
SCHEMBL6902857 0.83 OPRL1 (0.54) OPRL1OPRM1OPRK1OPRD1GRIN2B
SCHEMBL6690805 0.79 GRIN2B (0.44) OPRL1OPRM1OPRK1OPRD1GRIN2B
SCHEMBL8857756 0.78 OPRL1 (0.46) OPRL1OPRM1OPRK1OPRD1GRIN2B
SCHEMBL8857297 0.77 OPRM1 (0.41) OPRL1OPRM1OPRK1OPRD1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497245-A1 PROCESS FOR THE PREPARATION OF NONRACEMIC SYN-1-(4-HYDROXY-PHENYL)-2-(4-HYDROXY-4-PHENYL.PIPERIDIN-1Yl)-1-PROPANOL COMPOUNDS DSM Pharmaceuticals, Inc. (US) 2005-01-19 EP disclosed
WO-2003062181-A8 PROCESS FOR THE PREPARATION OF NONRACEMIC SYN-1-(4-HYDROXY-PHENYL)-2-(4-HYDROXY-4-PHENYL.PIPERIDIN-1Yl)-1-PROPANOL COMPOUNDS DSM PHARMACEUTICALS INC (US) 2004-07-08 WO disclosed
US-6743921-B2 HYDROGENATION OF A CORRESPONDING NONRACEMIC 1-(4-BENZOXY PHENYL)-2-(4-HYDROXY-4-PHENYL-PIPERIDIN-1-YL)-1-PROPANONE USING A CATALYST SYSTEM COMPRISING RUTHENIUM, A NONRACEMIC DIPHOSPHINE LIGAND, A BIDENTATE AMINE LIGAND SELECTED FROM DSM CATALYTICA PHARMACEUTICALS, INC. 2004-06-01 US disclosed
US-20030144521-A1 Process for the preparation of nonracemic syn-1-(4-hydroxy-phenyl)-2-(4-hydroxy-4-phenyl -piperidin-1-yl)-1-propanol compounds DSM CATALYTICA PHARMACEUTICALS, INC. 2003-07-31 US disclosed
WO-2003062180-A1 PROCESS FOR THE PREPARATION OF NONRACEMIC SYN-1-(4-HYDROXY-PHENYL)-2-(4-HYDROXY-4-PHENYL-PIPERIDIN-1-YL)-1-PROPANOL COMPOUNDS DSM N.V. (NL) 2003-07-31 WO disclosed
WO-2003062181-A1 PROCESS FOR THE PREPARATION OF NONRACEMIC SYN-1-(4-HYDROXY-PHENYL)-2-(4-HYDROXY-4-PHENYL.PIPERIDIN-1Yl)-1-PROPANOL COMPOUNDS DSM PHARMACEUTICALS, INC. (US) 2003-07-31 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-20030144521-A1 Process for the preparation of nonracemic syn-1-(4-hydroxy-phenyl)-2-(4-hydroxy-4-phenyl -piperidin-1-yl)-1-propanol compounds SYNJ1, HRH4, HRH3 OPRL1 1447/4885OPRM1 584/4885OPRK1 410/4885

“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.