SCHEMBL2582519

SCHEMBL2582519

Nc1ccc(OC2CNC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.55
SLC6A4 P31645 3/20 0.55
SLC6A3 Q01959 3/20 0.55
HTR1A P08908 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.41
HRH1 P35367 1/20 0.41
PRKCZ Q05513 1/20 0.40

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
SCHEMBL7000861 0.84 PRKCZ (0.56) HRH1PRKCZ
SCHEMBL4067092 0.84 PRKCZ (0.56) HRH1PRKCZ
SCHEMBL3133920 0.84 PRKCZ (0.56) HRH1PRKCZ
Trifluoroacetic Acid SCHEMBL30182604 0.83 ITGB1 (0.41) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3127582 0.82 PRKCZ (0.54) HRH1PRKCZ
SCHEMBL5201820 0.81 ROCK1 (0.57) SLC6A2HTR1AHRH1PRKCZ
SCHEMBL3634171 0.81 ROCK1 (0.57) SLC6A2HTR1AHRH1PRKCZ
SCHEMBL1740596 0.80 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL14862725 0.80 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3HTR1AHRH1
SCHEMBL2298255 0.80 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3HTR1ATDP1

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
WO-2011142359-A1 SPIRO COMPOUND AND DRUG FOR ACTIVATING ADIPONECTIN RECEPTOR 日産化学工業株式会社 (JP) 2011-11-17 WO disclosed
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
WO-2010084438-A1 AMINO-HETEROCYCLIC COMPOUNDS USED AS PDE9 INHIBITORS PFIZER INC. (US) 2010-07-29 WO 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 SLC6A2 317/4885SLC6A4 325/4885SLC6A3 197/4885

“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.