SCHEMBL6152148

SCHEMBL6152148

C[C@@H](C(=O)c1ccc(OCc2ccccc2)cc1)N1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.50
OPRM1 P35372 5/20 0.49
OPRK1 P41145 5/20 0.49
OPRL1 P41146 5/20 0.49
OPRD1 P41143 4/20 0.49
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
ADAM17 P78536 1/20 0.48
MAOB P27338 1/20 0.48
ABCB1 P08183 1/20 0.48
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
CHRM4 P08173 1/20 0.46
PARP10 Q53GL7 1/20 0.45
SRD5A2 P31213 1/20 0.44
EGFR P00533 1/20 0.44
NAAA Q02083 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
SCHEMBL6690779 1.00 GRIN2B (0.50) GRIN2BOPRM1OPRK1OPRL1OPRD1
SCHEMBL6151725 1.00 GRIN2B (0.50) GRIN2BOPRM1OPRK1OPRL1OPRD1
SCHEMBL6690805 0.92 GRIN2B (0.44) GRIN2BOPRM1OPRK1OPRL1OPRD1
SCHEMBL6690809 0.91 GRIN2B (0.43) GRIN2BOPRM1OPRK1OPRL1OPRD1
SCHEMBL6698141 0.90 ABCB1 (0.43) GRIN2BOPRM1OPRK1OPRL1OPRD1
SCHEMBL6902035 0.90 ABCB1 (0.43) GRIN2BOPRM1OPRK1OPRL1OPRD1
SCHEMBL6154688 0.88 ABCB1 (0.42) GRIN2BOPRM1OPRK1OPRL1OPRD1
SCHEMBL7331271 0.87 GRIN2B (0.55) GRIN2BOPRM1OPRK1OPRL1OPRD1
SCHEMBL9131979 0.87 GRIN2B (0.55) GRIN2BOPRM1OPRK1OPRL1OPRD1
SCHEMBL6902857 0.85 OPRL1 (0.54) GRIN2BOPRM1OPRK1OPRL1OPRD1

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 17 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
US-6806378-B2 CATALYST SYSTEM AND A PROCESS FOR THE PREPARATION OF A NONRACEMIC CHIRAL ALCOHOL BY HYDROGENATION OF A KETONE USING THE CATALYST SYSTEM, WHEREIN THE CATALYST SYSTEM COMPRISES RUTHENIUM, A NONRACEMIC CHIRAL DIPHOSPHINE LIGAND, AN DSM N.V. (NL) 2004-10-19 US disclosed
EP-1465726-A1 PROCESS FOR PREPARING NONRACEMIC CHIRAL ALCOHOLS DSM IP Assets B.V. (NL) 2004-10-13 EP disclosed
EP-1149831-B1 Process for the preparation of the mesylate salt trihydrate of 1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-propanol and intermediates useful therefor PFIZER PROD INC (US) 2004-09-01 EP 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-20030181318-A1 Process for preparing nonracemic chiral alcohols DSM N.V. (NL) 2003-09-25 US disclosed
US-20030181319-A1 Process for preparing nonracemic chiral alcohols DSM N.V. (NL) 2003-09-25 US disclosed
US-20030171213-A1 Process for preparing nonracemic chiral alcohols DSM N.V. (NL) 2003-09-11 US disclosed
WO-2003061824-A1 PROCESS FOR PREPARING NONRACEMIC CHIRAL ALCOHOLS DSM IP ASSETS B.V. (NL) 2003-07-31 WO disclosed
WO-2003061825-A1 PROCESS FOR PREPARING NONRACEMIC CHIRAL ALCOHOLS DSM IP ASSETS B.V. (NL) 2003-07-31 WO disclosed
WO-2003061826-A1 PROCESS FOR PREPARING NONRACEMIC CHIRAL ALCOHOLS DSM IP ASSETS B.V. (NL) 2003-07-31 WO 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
US-6570018-B2 Reducing the propanone of the compound with an alkali metal borohydride and cleaving the protecting group in the presence of methanesulfonic acid; n-methyl-d-aspartic acid receptor antagonist; longer shelf life PFIZER INC 2003-05-27 US disclosed
US-20020016466-A1 Process for the preparation of the mesylate salt trihydrate of 1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-propanol and intermediates useful therefor PFIZER INC. 2002-02-07 US disclosed
EP-1149831-A1 Process for the preparation of the mesylate salt trihydrate of 1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-propanol and intermediates useful therefor Pfizer Products Inc. (US) 2001-10-31 EP 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 (3 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-20020016466-A1 Process for the preparation of the mesylate salt trihydrate of 1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-propanol and intermediates useful therefor CYP4A11, CYP2S1, CYP4B1 GRIN2B 3961/4885OPRM1 2455/4885OPRK1 2462/4885
US-20030181319-A1 Process for preparing nonracemic chiral alcohols ADH1A, ADH1C, AGPS GRIN2B 2686/4885OPRM1 107/4885OPRK1 235/4885
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 GRIN2B 2908/4885OPRM1 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.