SCHEMBL5463234

SCHEMBL5463234

COCc1ccc(C2(O)CCN(CC(O)c3ccc(O)c(C)c3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.41
ADRB1 P08588 4/20 0.41
ADRB3 P13945 4/20 0.41
ADRA1D P25100 4/20 0.41
ADRA1A P35348 4/20 0.41
ADRA1B P35368 4/20 0.41
KCNH2 Q12809 2/20 0.38
GRIN2B Q13224 5/20 0.38
CYP2D6 P10635 1/20 0.37
TACR2 P21452 1/20 0.37
DRD2 P14416 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
DRD3 P35462 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL5464081 0.89 CYP2D6 (0.49) KCNH2CYP2D6TACR2DRD2SIGMAR1
Hydrochloric Acid SCHEMBL5457703 0.88 CYP2D6 (0.48) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL5457671 0.87 GRIN2B (0.49) KCNH2GRIN2BCYP2D6DRD2SIGMAR1
SCHEMBL5457573 0.85 CYP2D6 (0.39) ADRA1DADRA1AADRA1BGRIN2BCYP2D6
SCHEMBL5460231 0.84 CCR5 (0.35) KCNH2GRIN2BTACR2DRD2SIGMAR1
SCHEMBL5462556 0.81 ADRA1D (0.39) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL5460439 0.80 GRIN2B (0.57) KCNH2GRIN2B
Hydrochloric Acid SCHEMBL5463929 0.80 GRIN2B (0.56) ADRB2ADRB1ADRB3ADRA1DADRA1A
Hydrochloric Acid SCHEMBL5463008 0.79 OPRM1 (0.49) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL5457601 0.78 CCR1 (0.52) GRIN2BLMNA

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 ADRB2 418/4885ADRB1 446/4885ADRB3 576/4885

“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.