SCHEMBL6676203

SCHEMBL6676203

C[C@@H]([C@@H](O)c1ccc(Oc2ccccc2)cc1)N1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.75
GRIN2B Q13224 2/20 0.75
KCNH2 Q12809 2/20 0.75
GRIN2D O15399 1/20 0.75
GRIN3B O60391 1/20 0.75
GRIN1 Q05586 1/20 0.75
GRIN2A Q12879 1/20 0.75
GRIN2C Q14957 1/20 0.75
GRIN3A Q8TCU5 1/20 0.75
OPRM1 P35372 6/20 0.60
OPRD1 P41143 6/20 0.60
OPRK1 P41145 6/20 0.60
OPRL1 P41146 6/20 0.60

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
SCHEMBL6152247 1.00 CYP2D6 (0.75) CYP2D6GRIN2BKCNH2GRIN2DGRIN3B
SCHEMBL6902750 1.00 CYP2D6 (0.75) CYP2D6GRIN2BKCNH2GRIN2DGRIN3B
SCHEMBL7260283 1.00 CYP2D6 (0.75) CYP2D6GRIN2BKCNH2GRIN2DGRIN3B
SCHEMBL6151424 1.00 CYP2D6 (0.75) CYP2D6GRIN2BKCNH2GRIN2DGRIN3B
SCHEMBL8601661 0.88 CYP2D6 (0.84) CYP2D6GRIN2BKCNH2GRIN2DGRIN3B
SCHEMBL7330243 0.88 CYP2D6 (0.84) CYP2D6GRIN2BKCNH2GRIN2DGRIN3B
SCHEMBL7330238 0.88 CYP2D6 (0.84) CYP2D6GRIN2BKCNH2GRIN2DGRIN3B
SCHEMBL7337184 0.86 CYP2D6 (0.69) CYP2D6GRIN2BKCNH2GRIN2DGRIN3B
SCHEMBL7337190 0.86 CYP2D6 (0.69) CYP2D6GRIN2BKCNH2GRIN2DGRIN3B
SCHEMBL8497418 0.86 KCNH2 (0.81) CYP2D6GRIN2BKCNH2GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
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

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 CYP2D6 2836/4885GRIN2B 2908/4885KCNH2 1091/4885

“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.