SCHEMBL5463189

SCHEMBL5463189

COc1ccc(C2(O)CCN(CC(O)c3ccc(OCc4ccccc4)c(Cl)c3)CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 5/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
ABCB1 P08183 1/20 0.40
CCR1 P32246 1/20 0.40
SLC6A3 Q01959 1/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
CCR5 P51681 1/20 0.39
TACR1 P25103 2/20 0.38
PDE10A Q9Y233 1/20 0.38
GRIN2B Q13224 1/20 0.38
CCR3 P51677 1/20 0.37

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
SCHEMBL5464013 0.91 PDE10A (0.41) SLC6A2SLC6A4ABCB1CCR1PDE10A
SCHEMBL5462674 0.90 PDE10A (0.41) SLC6A2SLC6A4ABCB1CCR1PDE10A
SCHEMBL5461648 0.87 TACR2 (0.46) TACR2SLC6A2SLC6A4ABCB1CCR1
SCHEMBL5470366 0.86 CCR1 (0.47) ABCB1CCR1GRIN2B
SCHEMBL5468477 0.84 CYP2D6 (0.45) CCR1HTR1AHTR7GRIN2B
Hydrochloric Acid SCHEMBL5462473 0.83 CYP2D6 (0.44) CCR1HTR1AHTR7
SCHEMBL5463829 0.80 GRIN2B (0.44) GRIN2B
SCHEMBL5457368 0.79 ABCB1 (0.44) ABCB1CCR1PDE10AGRIN2B
SCHEMBL5462556 0.78 ADRA1D (0.39) GRIN2B
SCHEMBL5468783 0.77 GRIN2B (0.41) CCR1GRIN2B

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 TACR2 170/4885SLC6A2 1099/4885SLC6A4 684/4885

“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.