SCHEMBL5470366

SCHEMBL5470366

COc1ccc(C2(O)CCN(CC(O)c3ccc(OCc4ccccc4)cc3)CC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.47
GRIN2B Q13224 5/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
PABPC1 P11940 1/20 0.44
ABCB1 P08183 1/20 0.43
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
OPRL1 P41146 2/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.39

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
SCHEMBL5457368 0.87 ABCB1 (0.44) CCR1GRIN2BKMT2AMEN1ALDH1A1
SCHEMBL5464013 0.87 PDE10A (0.41) CCR1GRIN2BABCB1
SCHEMBL5463829 0.86 GRIN2B (0.44) GRIN2B
SCHEMBL5462674 0.86 PDE10A (0.41) CCR1GRIN2BKMT2AMEN1LMNA
SCHEMBL5463189 0.86 TACR2 (0.41) CCR1GRIN2BABCB1
SCHEMBL5457601 0.85 CCR1 (0.52) CCR1GRIN2BKMT2AMEN1ALDH1A1
SCHEMBL5468853 0.81 GRIN2B (0.53) GRIN2BKMT2AMEN1ALDH1A1LMNA
SCHEMBL5462556 0.78 ADRA1D (0.39) GRIN2B
SCHEMBL5460399 0.78 KCNH2 (0.55) CCR1GRIN2BKMT2AABCB1TSHR
SCHEMBL5468477 0.77 CYP2D6 (0.45) CCR1GRIN2BLMNA

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 CCR1 740/4885GRIN2B 7/4885KMT2A 326/4885

“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.