SCHEMBL5460592

SCHEMBL5460592

COc1ccc(C2(O)CCN(CC(O)c3cc(C)c(O)cc3C)CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 6/20 0.41
KCNH2 Q12809 4/20 0.41
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
CCR2 P41597 3/20 0.33
ABCB1 P08183 3/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
PDE10A Q9Y233 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL5476791 0.92 KCNH2 (0.39) KCNJ1KCNH2CYP2D6ALDH1A1MEN1
SCHEMBL5462556 0.86 ADRA1D (0.39) KCNJ1KCNH2
SCHEMBL5464743 0.85 KCNJ1 (0.38) KCNJ1KCNH2CYP2D6ALDH1A1MEN1
SCHEMBL5465846 0.83 KCNH2 (0.39) KCNJ1KCNH2ALDH1A1MEN1LMNA
Hydrochloric Acid SCHEMBL5462631 0.83 KCNH2 (0.38) KCNJ1KCNH2ALDH1A1MEN1LMNA
SCHEMBL5457440 0.82 KCNH2 (0.41) KCNJ1KCNH2CYP2D6ALDH1A1MEN1
SCHEMBL5468783 0.82 GRIN2B (0.41) KCNJ1KCNH2CYP2D6ALDH1A1MEN1
SCHEMBL5457573 0.81 CYP2D6 (0.39) CYP2D6ABCB1OPRM1OPRD1OPRK1
SCHEMBL5463829 0.81 GRIN2B (0.44) KCNH2CYP2D6
SCHEMBL5462666 0.80 GRIN2B (0.45) KCNH2CYP2D6LMNA

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 KCNJ1 298/4885KCNH2 163/4885CYP2D6 1081/4885

“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.