SCHEMBL5457610

SCHEMBL5457610

CCOc1ccc(C2(O)CCN(CC(=O)c3ccc(O[Si](C(C)C)(C(C)C)C(C)C)c(C)c3)CC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.37
ALDH1A1 P00352 4/20 0.36
ALOX15 P16050 2/20 0.36
CCR2 P41597 2/20 0.36
MAPT P10636 2/20 0.35
KCNH2 Q12809 1/20 0.35
PDE5A O76074 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
DRD2 P14416 1/20 0.33
ABCB1 P08183 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5457386 0.93 PDE5A (0.40) GRIN2BALDH1A1ALOX15PDE5APDE4B
SCHEMBL5468383 0.83 ADRB2 (0.35) GRIN2BALDH1A1CCR2MAPTKCNH2
SCHEMBL5468882 0.82 GRIN2B (0.37) GRIN2BCCR2KCNH2PDE4APDE4B
SCHEMBL5464204 0.81 KDM4E (0.37) ALDH1A1MAPTDRD2MEN1HTT
SCHEMBL5702204 0.80 CCR2 (0.32) CCR2KCNH2
SCHEMBL5459839 0.79 ALDH1A1 (0.34) GRIN2BALDH1A1ALOX15CCR2MAPT
SCHEMBL5462260 0.79 OXTR (0.35) GRIN2BCCR2KCNH2PDE4APDE4B
SCHEMBL5464042 0.79 KMT2A (0.52) GRIN2BALDH1A1MAPTMEN1KMT2A
SCHEMBL5468742 0.77 KCNH2 (0.33) KCNH2ABCB1
SCHEMBL5696560 0.77 GRIN2B (0.49) GRIN2BALDH1A1ALOX15KCNH2DRD2

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 1 patent. 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

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 GRIN2B 7/4885ALDH1A1 893/4885ALOX15 2489/4885

“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.