SCHEMBL13890686

SCHEMBL13890686

CCc1ccc(N=O)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.43
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
APLNR P35414 1/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGS2 P35354 3/20 0.36
PTGS1 P23219 2/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL13715693 0.85 TAAR1 (0.43) TAAR1MAPK1HTR3EHTR3BHTR3A
SCHEMBL279706 0.79 HTR3E (0.59) GAAMAPTTSHRMAPK1HTR3E
SCHEMBL23194099 0.79 TAAR1 (0.39) TAAR1GAAMAPTTSHRMAPK1
SCHEMBL12154783 0.76 HTR3E (0.41) MAPTTSHRMAPK1HTR3EHTR3B
SCHEMBL13586979 0.74 ALDH1A1 (0.44) GAAMAPTTSHRMAPK1HTR3E
SCHEMBL7065017 0.74 ALDH1A1 (0.55) GAAMAPTTSHRHTTHTR3E
SCHEMBL9107343 0.74 PTGS2 (0.57) GAAMAPTTSHRHTTL3MBTL1
SCHEMBL12738623 0.74 AMY1A (0.44) GAAMAPK1HTTHTR3EHTR3B
SCHEMBL31172821 0.74 APLNR (0.66) TAAR1MAPTAPLNRCYP3A4
SCHEMBL12797853 0.74 PTGS2 (0.54) TAAR1GAAMAPTTSHRMAPK1

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-20090099175-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2009-04-16 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-20090099175-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A TAAR1 1590/4885GAA 69/4885MAPT 3454/4885

“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.