SCHEMBL5468783

SCHEMBL5468783

COc1ccc(C2(O)CCN(CC(O)c3ccc(O)cc3Cl)CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.41
KCNJ1 P48048 3/20 0.40
KCNH2 Q12809 2/20 0.40
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SCN9A Q15858 1/20 0.34
CCR1 P32246 1/20 0.33
P2RX7 Q99572 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
MEN1 O00255 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
SCHEMBL5457440 0.89 KCNH2 (0.41) GRIN2BKCNJ1KCNH2CYP2D6ALDH1A1
SCHEMBL5470384 0.86 GRIN2B (0.39) GRIN2BKCNJ1KCNH2ALDH1A1LMNA
SCHEMBL5463829 0.84 GRIN2B (0.44) GRIN2BKCNH2CYP2D6
SCHEMBL5468477 0.83 CYP2D6 (0.45) GRIN2BKCNJ1KCNH2CYP2D6LMNA
Hydrochloric Acid SCHEMBL5462473 0.82 CYP2D6 (0.44) KCNJ1KCNH2CYP2D6LMNACCR1
SCHEMBL5460592 0.82 KCNJ1 (0.41) KCNJ1KCNH2CYP2D6ALDH1A1LMNA
SCHEMBL5465846 0.81 KCNH2 (0.39) KCNJ1KCNH2ALDH1A1LMNADRD2
Hydrochloric Acid SCHEMBL5462631 0.80 KCNH2 (0.38) KCNJ1KCNH2ALDH1A1LMNADRD2
SCHEMBL5476791 0.79 KCNH2 (0.39) GRIN2BKCNJ1KCNH2CYP2D6ALDH1A1
SCHEMBL5462556 0.78 ADRA1D (0.39) GRIN2BKCNJ1KCNH2

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 7/4885KCNJ1 298/4885KCNH2 163/4885

“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.