SCHEMBL5468477

SCHEMBL5468477

COc1ccc(C2(O)CCN(CC(O)c3ccc(O)c(Cl)c3)CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
ADRB2 P07550 5/20 0.36
ADRB1 P08588 5/20 0.36
ADRB3 P13945 5/20 0.36
ADRA1D P25100 5/20 0.36
ADRA1A P35348 5/20 0.36
ADRA1B P35368 5/20 0.36
KCNH2 Q12809 3/20 0.36
DRD2 P14416 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
DRD3 P35462 2/20 0.36
LMNA P02545 1/20 0.36
CCR1 P32246 2/20 0.36
KCNJ1 P48048 1/20 0.35
GRIN2B Q13224 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
Hydrochloric Acid SCHEMBL5462473 0.99 CYP2D6 (0.44) CYP2D6HTR1AHTR7ADRB2ADRB1
SCHEMBL5462556 0.89 ADRA1D (0.39) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL5462666 0.89 GRIN2B (0.45) CYP2D6ADRB2ADRB1ADRB3ADRA1D
SCHEMBL5468867 0.88 ADRA1D (0.38) ADRB2ADRB1ADRB3ADRA1DADRA1A
Hydrochloric Acid SCHEMBL5468377 0.87 ADRA1D (0.39) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL5463829 0.86 GRIN2B (0.44) CYP2D6KCNH2GRIN2B
SCHEMBL5463189 0.84 TACR2 (0.41) HTR1AHTR7CCR1GRIN2B
SCHEMBL5466900 0.84 GRIN2B (0.41) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL5468783 0.83 GRIN2B (0.41) CYP2D6KCNH2DRD2DRD3LMNA
SCHEMBL5464081 0.81 CYP2D6 (0.49) CYP2D6HTR1AHTR7KCNH2DRD2

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 CYP2D6 1081/4885HTR1A 271/4885HTR7 420/4885

“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.