SCHEMBL3492979

SCHEMBL3492979

NNC(=O)c1ccc2occc2c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 8/20 0.56
WNT3A P56704 8/20 0.56
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
HTR1B P28222 1/20 0.55
NAMPT P43490 1/20 0.55
CHRNA7 P36544 5/20 0.51
HTR3A P46098 3/20 0.51
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
CYP2D6 P10635 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
IDO1 P14902 2/20 0.46

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
SCHEMBL14880251 0.84 HTR1B (0.56) CTNNB1WNT3ATAS1R3TAS1R1HTR1B
SCHEMBL12020481 0.83 HTR1B (0.63) CTNNB1WNT3ATAS1R3TAS1R1HTR1B
SCHEMBL1922479 0.82 TAS1R3 (0.58) CTNNB1WNT3ATAS1R3TAS1R1HTR1B
Hydrochloric Acid SCHEMBL30164255 0.81 HTR1B (0.61) CTNNB1WNT3ATAS1R3TAS1R1HTR1B
SCHEMBL3441414 0.80 AR (0.61) CTNNB1WNT3ATAS1R3TAS1R1HTR1B
SCHEMBL3494527 0.79 HTR1B (0.58) CTNNB1WNT3ATAS1R3TAS1R1HTR1B
SCHEMBL13701657 0.79 HTR1B (0.55) CTNNB1WNT3ATAS1R3TAS1R1HTR1B
SCHEMBL29987426 0.78 CTNNB1 (0.63) CTNNB1WNT3ATAS1R3TAS1R1HTR1B
SCHEMBL4318315 0.78 CTNNB1 (0.58) CTNNB1WNT3ATAS1R3TAS1R1HTR1B
SCHEMBL663873 0.78 CTNNB1 (0.63) CTNNB1WNT3ATAS1R3TAS1R1HTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US disclosed
WO-2009071577-A1 OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-06-11 WO disclosed
WO-2009071577-A1 OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-06-11 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP CTNNB1 6/4885WNT3A 31/4885TAS1R3 4420/4885

“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.