SCHEMBL5460586

SCHEMBL5460586

O=C(CBr)c1ccc(OCc2ccccc2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.56
PARP15 Q460N3 1/20 0.56
MAOB P27338 5/20 0.56
MAOA P21397 1/20 0.53
NOX1 Q9Y5S8 1/20 0.50
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
NR4A2 P43354 2/20 0.48
NR4A1 P22736 1/20 0.48
NR4A3 Q92570 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALOX5 P09917 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PARP14 Q460N5 1/20 0.46
CASP3 P42574 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46

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
SCHEMBL2997270 0.87 MAOB (0.62) PARP10PARP15MAOBMAOANOX1
SCHEMBL4473413 0.86 MAOB (0.61) PARP10PARP15MAOBMAOANR4A2
SCHEMBL27683488 0.85 MAOB (0.61) PARP10PARP15MAOBMAOANOX1
Hydrochloric Acid SCHEMBL9015457 0.85 MAOB (0.61) PARP10PARP15MAOBMAOANOX1
SCHEMBL11751536 0.83 MEN1 (0.62) PARP10MAOBMAOAMRGPRX4NR4A2
SCHEMBL1437602 0.83 MAOB (0.58) PARP10MAOBMRGPRX4NR4A2NR4A1
SCHEMBL324525 0.83 MAOB (0.48) PARP10PARP15MAOBMAOAMRGPRX4
SCHEMBL9015450 0.83 MAOB (0.59) PARP10PARP15MAOBMAOANOX1
SCHEMBL1555449 0.83 MAOB (0.79) PARP10PARP15MAOBMAOA
SCHEMBL9902297 0.83 MAOB (0.52) PARP10PARP15MAOBMAOANOX1

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 PARP10 1078/4885PARP15 1712/4885MAOB 3810/4885

“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.