SCHEMBL5457440

SCHEMBL5457440

COc1ccc(C2(O)CCN(CC(O)c3ccc(O)cc3F)CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.41
KCNJ1 P48048 4/20 0.41
CYP2D6 P10635 1/20 0.40
CCR2 P41597 3/20 0.34
GRIN2B Q13224 5/20 0.34
GRIN1 Q05586 1/20 0.34
TGFBR1 P36897 1/20 0.34
SLC2A1 P11166 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5465846 0.89 KCNH2 (0.39) KCNH2KCNJ1CCR2TGFBR1SLC2A1
SCHEMBL5468783 0.89 GRIN2B (0.41) KCNH2KCNJ1CYP2D6GRIN2BMEN1
Hydrochloric Acid SCHEMBL5462631 0.89 KCNH2 (0.38) KCNH2KCNJ1CCR2TGFBR1SLC2A1
SCHEMBL5476791 0.88 KCNH2 (0.39) KCNH2KCNJ1CYP2D6CCR2GRIN2B
SCHEMBL5457368 0.86 ABCB1 (0.44) KCNH2KCNJ1GRIN2BMEN1ALDH1A1
SCHEMBL5463829 0.85 GRIN2B (0.44) KCNH2CYP2D6GRIN2BGRIN1
SCHEMBL5462666 0.83 GRIN2B (0.45) KCNH2CYP2D6GRIN2BGRIN1LMNA
SCHEMBL5461245 0.83 KCNH2 (0.36) KCNH2KCNJ1CCR2TGFBR1SLC2A1
SCHEMBL5460592 0.82 KCNJ1 (0.41) KCNH2KCNJ1CYP2D6CCR2MEN1
SCHEMBL5461556 0.81 KCNH2 (0.37) KCNH2KCNJ1CYP2D6CCR2TGFBR1

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 163/4885KCNJ1 298/4885CYP2D6 1081/4885

“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.