SCHEMBL5457671

SCHEMBL5457671

COCc1ccc(C2(O)CCN(CC(O)c3ccc(O)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 11/20 0.49
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
CYP2D6 P10635 1/20 0.44
GRIN1 Q05586 1/20 0.44
KCNH2 Q12809 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
LMNA P02545 1/20 0.42
DRD2 P14416 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL5463234 0.87 ADRB2 (0.41) GRIN2BCYP2D6KCNH2LMNADRD2
SCHEMBL5464081 0.86 CYP2D6 (0.49) CYP2D6KCNH2LMNADRD2SIGMAR1
SCHEMBL5457601 0.86 CCR1 (0.52) GRIN2BLMNA
Hydrochloric Acid SCHEMBL5457703 0.85 CYP2D6 (0.48) CYP2D6LMNADRD2SIGMAR1
SCHEMBL5457573 0.80 CYP2D6 (0.39) GRIN2BGRIN2DGRIN3BCYP2D6GRIN1
SCHEMBL5463829 0.80 GRIN2B (0.44) GRIN2BGRIN2DGRIN3BCYP2D6GRIN1
SCHEMBL5696498 0.79 KCNH2 (0.66) GRIN2BKCNH2DRD2
SCHEMBL5461648 0.79 TACR2 (0.46)
SCHEMBL5460231 0.79 CCR5 (0.35) GRIN2BKCNH2LMNADRD2SIGMAR1
Hydrochloric Acid SCHEMBL5696681 0.78 KCNH2 (0.65) GRIN2BKCNH2DRD2

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 GRIN2B 7/4885GRIN2D 8/4885GRIN3B 5/4885

“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.