SCHEMBL22604627

SCHEMBL22604627

COc1ccc(COc2ccc(O[C@H]3CC[C@H](OC)CC3)c(N)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.45
▸ MAOB P27338 1/20 0.43
▸ APP P05067 5/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ NTRK3 Q16288 1/20 0.41
▸ NTRK2 Q16620 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ SPHK2 Q9NRA0 1/20 0.39

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
SCHEMBL22588221 1.00 BACE1 (0.45) BACE1MAOBAPPNPC1RAB9A
SCHEMBL22588396 0.91 PDE4A (0.45) MAOBAPPNPC1RAB9AMEN1
SCHEMBL22588415 0.90 PDE4A (0.47) MAOBAPPNPC1RAB9AMEN1
SCHEMBL22588418 0.85 APP (0.48) BACE1MAOBAPPNPC1RAB9A
SCHEMBL22604798 0.85 APP (0.48) BACE1MAOBAPPNPC1RAB9A
SCHEMBL24565353 0.80 TLR4 (0.44) BACE1NPC1RAB9AMEN1ALDH1A1
SCHEMBL22588104 0.80 TLR4 (0.44) BACE1NPC1RAB9AMEN1ALDH1A1
SCHEMBL22604625 0.77 NPC1 (0.46) MAOBAPPNPC1RAB9AMEN1
SCHEMBL22588301 0.76 APP (0.49) MAOBAPPNPC1RAB9AMEN1
SCHEMBL22604724 0.76 PDE4A (0.47) MAOBAPPNPC1RAB9AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204500-A1 COMPOUNDS COMPRISING N-METHYL-2-PYRIDONE, AND PHARMACEUTICALLY ACCEPTABLE SALTS UNIVERSITY OF DUNDEE (GB) 2022-06-30 — — US disclosed
WO-2020216779-A1 COMPOUNDS COMPRISING N-METHYL-2-PYRIDONE, AND PHARMACEUTICALLY ACCEPTABLE SALTS UNIVERSITY OF DUNDEE (GB) 2020-10-29 — — 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-20220204500-A1 COMPOUNDS COMPRISING N-METHYL-2-PYRIDONE, AND PHARMACEUTICALLY ACCEPTABLE SALTS TPMT, IL5, P2RY6 BACE1 4136/4885MAOB 1574/4885APP 3492/4885

“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.

Send feedback