SCHEMBL6370244

SCHEMBL6370244

CCOc1cc(OC)c(N)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
PDE4A P27815 4/20 0.47
PDE4B Q07343 4/20 0.47
PDE4C Q08493 4/20 0.47
PDE4D Q08499 4/20 0.47
ALDH1A1 P00352 4/20 0.44
POLB P06746 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 1/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL16328147 0.84 KDM4E (0.46) GAAKDM4EMAPTPDE4APDE4B
SCHEMBL8022335 0.84 ALDH1A1 (0.55) GAAKDM4EMAPTPDE4APDE4B
SCHEMBL11652171 0.84 ALDH1A1 (0.50) GAAKDM4EMAPTPDE4APDE4B
SCHEMBL11581139 0.84 ALDH1A1 (0.55) GAAKDM4EMAPTPDE4APDE4B
SCHEMBL1706988 0.83 GAA (0.58) GAAMAPTALDH1A1POLBL3MBTL1
SCHEMBL4245018 0.83 GAA (0.51) GAAKDM4EMAPTPDE4APDE4B
SCHEMBL653555 0.82 ALDH1A1 (0.48) GAAKDM4EMAPTPDE4APDE4B
SCHEMBL13324327 0.81 TAAR1 (0.48) GAAKDM4EMAPTPDE4APDE4B
SCHEMBL6814560 0.79 GAA (0.71) GAAKDM4EMAPTPDE4APDE4B
SCHEMBL6370854 0.79 ALDH1A1 (0.62) GAAKDM4EMAPTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2005-11-10 US disclosed
US-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-16 US disclosed
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-09 US disclosed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 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 (4 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-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 GAA 2909/4885KDM4E 2914/4885MAPT 1550/4885
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 GAA 2909/4885KDM4E 2914/4885MAPT 1550/4885
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 GAA 2909/4885KDM4E 2914/4885MAPT 1550/4885
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA7, CHRNA1, CHRNA5 GAA 2148/4885KDM4E 2407/4885MAPT 1395/4885

“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.