SCHEMBL2582495

SCHEMBL2582495

CN1CC(Oc2ccccc2C#N)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.44
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
TRPC3 Q13507 1/20 0.39
TRPC6 Q9Y210 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EPHX2 P34913 1/20 0.38
GPR6 P46095 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.38
TYRO3 Q06418 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR6 P50406 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL3291578 0.85 PDE10A (0.49) PDE10ATRPC3TRPC6ALDH1A1MEN1
SCHEMBL3130466 0.84 HRH3 (0.55) PDE10AEPHX2GPR6MEN1KMT2A
SCHEMBL20147417 0.83 PDE9A (0.43) PDE10APOLBGAASLC6A4
SCHEMBL23761235 0.80 EPHX2 (0.44) PDE10APOLBGAATRPC3TRPC6
SCHEMBL30505244 0.80 EPHX2 (0.44) PDE10APOLBGAATRPC3TRPC6
SCHEMBL20147891 0.80 PDE10A (0.39) PDE10APOLBGAATRPC3TRPC6
SCHEMBL5256831 0.79 PDE10A (0.45) PDE10ATRPC3TRPC6ALDH1A1MEN1
Hydrochloric Acid SCHEMBL25401967 0.79 EPHX2 (0.44) PDE10APOLBGAATRPC3TRPC6
SCHEMBL18348335 0.78 NOS3 (0.43) SLC6A4HTR6
SCHEMBL6530291 0.77 KDM4E (0.50) POLBGAATRPC3TRPC6EPHX2

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-8049013-B2 5- [4-(azetidin-3-yloxy)-phenyl]-2-phenyl-5H-thiazolo[5,4-C] pyridin-4-one derivatives and their use as MCH receptor antagonists ELI LILLY AND COMPANY (US) 2011-11-01 US disclosed
US-20100069352-A1 5- [4-(AZETIDIN-3-YLOXY)-PHENYL]-2-PHENYL-5H-THIAZOLO[5,4-C] PYRIDIN-4-ONE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-03-18 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-20100069352-A1 5- [4-(AZETIDIN-3-YLOXY)-PHENYL]-2-PHENYL-5H-THIAZOLO[5,4-C] PYRIDIN-4-ONE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, HCRTR1 PDE10A 3331/4885POLB 4555/4885GAA 2932/4885

“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.