SCHEMBL5457368

SCHEMBL5457368

COc1ccc(C2(O)CCN(CC(O)c3ccc(OCc4ccccc4)cc3F)CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.44
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PABPC1 P11940 1/20 0.39
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
CCR1 P32246 1/20 0.39
PDE10A Q9Y233 1/20 0.38
FFAR1 O14842 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
GRIN2B Q13224 1/20 0.38
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 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
SCHEMBL5470366 0.87 CCR1 (0.47) ABCB1KMT2AMEN1ALDH1A1LMNA
SCHEMBL5457440 0.86 KCNH2 (0.41) KMT2AMEN1ALDH1A1LMNAKCNJ1
SCHEMBL5462674 0.84 PDE10A (0.41) ABCB1KMT2AMEN1LMNAKCNH2
SCHEMBL5457685 0.82 ABCB1 (0.49) ABCB1KMT2AKCNH2CCR1FFAR1
SCHEMBL5465846 0.81 KCNH2 (0.39) ABCB1KMT2AMEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5462631 0.81 KCNH2 (0.38) ABCB1KMT2AMEN1ALDH1A1LMNA
SCHEMBL5476791 0.80 KCNH2 (0.39) KMT2AMEN1ALDH1A1LMNAKCNJ1
SCHEMBL5464013 0.80 PDE10A (0.41) ABCB1KCNJ1KCNH2CCR1PDE10A
SCHEMBL5463189 0.79 TACR2 (0.41) ABCB1CCR1PDE10AGRIN2B
SCHEMBL5468783 0.78 GRIN2B (0.41) KMT2AMEN1ALDH1A1LMNAKCNJ1

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 ABCB1 803/4885KMT2A 326/4885MEN1 4176/4885

“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.