SCHEMBL5468617

SCHEMBL5468617

O=C(CBr)c1ccc(OCc2ccccc2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.57
HPGD P15428 4/20 0.56
RXRA P19793 2/20 0.56
RXRB P28702 2/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
TP53 P04637 2/20 0.52
XBP1 P17861 2/20 0.52
MEN1 O00255 1/20 0.52
MITF O75030 1/20 0.52
KMT2A Q03164 1/20 0.52
RXRG P48443 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL8768764 0.87 MRGPRX4 (0.58) MRGPRX4HPGDRXRARXRBNPC1
SCHEMBL8356708 0.87 NPC1 (0.64) HPGDRXRANPC1RAB9ASMN1; SMN2
SCHEMBL243754 0.85 MRGPRX4 (0.73) MRGPRX4HPGDRXRARXRBNPC1
SCHEMBL3161913 0.85 MRGPRX4 (0.56) MRGPRX4HPGDRXRARXRBNPC1
SCHEMBL4295650 0.84 FOLH1 (0.62) HPGDRXRARXRBNPC1RAB9A
SCHEMBL10604837 0.84 EGFR (0.65) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8756076 0.84 MRGPRX4 (0.61) MRGPRX4HPGDRXRARXRBNPC1
Hydrochloric Acid SCHEMBL9647665 0.84 MRGPRX4 (0.71) MRGPRX4HPGDRXRARXRBNPC1
SCHEMBL4161097 0.83 NPC1 (0.53) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL28979208 0.83 NPC1 (0.53) HPGDNPC1RAB9ASMN1; SMN2MEN1

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 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
EP-0579833-B1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 EP disclosed
EP-0579833-A1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY. FUJISAWA PHARMACEUTICAL CO (JP) 1994-01-26 EP disclosed
WO-1992018461-A1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-29 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 MRGPRX4 441/4885HPGD 1162/4885RXRA 2372/4885

“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.