SCHEMBL5463199

SCHEMBL5463199

COc1ccc(C2(O)CCN(CC(=O)c3ccc(OCc4ccccc4)c(C)c3)CC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.52
ABCB1 P08183 4/20 0.45
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE10A Q9Y233 1/20 0.42
MCHR1 Q99705 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMPD1 P17405 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL5462690 0.92 GRIN2B (0.51) GRIN2BABCB1NPC1RAB9AHPGD
SCHEMBL5468853 0.88 GRIN2B (0.53) GRIN2BMEN1KMT2A
SCHEMBL5464013 0.82 PDE10A (0.41) GRIN2BABCB1PDE10A
SCHEMBL5454953 0.81 ALDH1A1 (0.48) GRIN2BABCB1FFAR4
SCHEMBL5455175 0.79 ABCB1 (0.42) ABCB1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL5702162 0.79 PDE10A (0.40) ABCB1PDE10AFFAR4MEN1KMT2A
SCHEMBL5462772 0.78 CCR5 (0.45) ABCB1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL5457610 0.77 GRIN2B (0.37) GRIN2BABCB1MEN1KMT2A
SCHEMBL5468882 0.77 GRIN2B (0.37) GRIN2BKMT2A
SCHEMBL5457386 0.75 PDE5A (0.40) GRIN2BABCB1HPGD

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 7/4885ABCB1 803/4885NPC1 1337/4885

“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.