SCHEMBL5468561

SCHEMBL5468561

Oc1ccc(C(O)CN2CCC(O)(c3cccc(F)c3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.64
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53
OPRK1 P41145 1/20 0.53
OPRL1 P41146 1/20 0.53
GRIN2B Q13224 8/20 0.50
DRD2 P14416 3/20 0.45
SIGMAR1 Q99720 3/20 0.45
DRD3 P35462 2/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL5457442 0.87 KCNH2 (0.63) KCNH2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5460383 0.86 KCNH2 (0.54) KCNH2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5464120 0.85 KCNH2 (0.61) KCNH2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5460399 0.84 KCNH2 (0.55) KCNH2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5457660 0.81 KCNH2 (0.59) KCNH2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5468540 0.81 KCNH2 (0.53) KCNH2OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL5457614 0.80 KCNH2 (0.52) KCNH2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5474373 0.79 KCNH2 (0.52) KCNH2OPRM1OPRD1OPRK1OPRL1
SCHEMBL877343 0.78 KCNH2 (1.00) KCNH2OPRM1OPRD1OPRK1OPRL1
SCHEMBL120402 0.78 KCNH2 (1.00) KCNH2OPRM1OPRD1OPRK1OPRL1

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
US-20070021414-A1 1-'2-(4-Hydroxyphenyl)-2-hydroxyethyl!-piperidin-4-ol compounds as nmda receptor antagonists PFIZER, INC. 2007-01-25 US claimed
EP-1673366-A1 1-\"2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL]-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2006-06-28 EP claimed
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 claimed
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 163/4885OPRM1 21/4885OPRD1 14/4885

“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.