SCHEMBL5468877

SCHEMBL5468877

CC(C)[Si](Oc1ccc(C(O)CN2CCC(O)(c3cccc(F)c3)CC2)cc1F)(C(C)C)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.55
GRIN2B Q13224 5/20 0.44
OPRL1 P41146 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
ALDH1A1 P00352 3/20 0.41
CYP2C19 P33261 1/20 0.37
DRD2 P14416 3/20 0.35
SIGMAR1 Q99720 3/20 0.35
DRD3 P35462 2/20 0.35
LMNA P02545 1/20 0.35
SLC6A2 P23975 1/20 0.35
CYP2D6 P10635 1/20 0.35
ABCB1 P08183 1/20 0.35

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
SCHEMBL5461536 0.88 KCNH2 (0.47) KCNH2GRIN2BOPRL1OPRM1OPRD1
SCHEMBL5464106 0.83 KCNH2 (0.46) KCNH2GRIN2BOPRL1OPRM1OPRD1
SCHEMBL5470349 0.82 KCNH2 (0.46) KCNH2DRD2SIGMAR1DRD3LMNA
SCHEMBL5457479 0.81 ALDH1A1 (0.49) KCNH2GRIN2BOPRL1OPRM1OPRD1
SCHEMBL5457442 0.81 KCNH2 (0.63) KCNH2GRIN2BOPRL1OPRM1OPRD1
SCHEMBL5463260 0.80 GRIN2B (0.51) KCNH2GRIN2BOPRL1OPRM1OPRD1
SCHEMBL5468561 0.78 KCNH2 (0.64) KCNH2GRIN2BOPRL1OPRM1OPRD1
SCHEMBL5464120 0.77 KCNH2 (0.61) KCNH2GRIN2BOPRL1OPRM1OPRD1
SCHEMBL5457660 0.77 KCNH2 (0.59) KCNH2GRIN2BOPRL1OPRM1OPRD1
SCHEMBL5457356 0.76 KCNH2 (0.54) KCNH2GRIN2BOPRL1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021414-A1 1-'2-(4-Hydroxyphenyl)-2-hydroxyethyl!-piperidin-4-ol compounds as nmda receptor antagonists PFIZER, INC. 2007-01-25 US disclosed
EP-1673366-A1 1-\"2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL]-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2006-06-28 EP disclosed
WO-2005035522-A1 1-‘2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL!-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS PFIZER JAPAN, INC. (JP) 2005-04-21 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-20070021414-A1 1-'2-(4-Hydroxyphenyl)-2-hydroxyethyl!-piperidin-4-ol compounds as nmda receptor antagonists GRIN1, GRIN3A, GRIN2C KCNH2 163/4885GRIN2B 7/4885OPRL1 6/4885

“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.