SCHEMBL3714922

SCHEMBL3714922

COc1ccc2c(c1)C(C(N)=O)CCC2

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 6/20 0.52
MTNR1A P48039 6/20 0.51
NQO2 P16083 4/20 0.50
C5AR1 P21730 2/20 0.49
ACHE P22303 1/20 0.49
GPR183 P32249 1/20 0.48
ADGRF1 Q5T601 1/20 0.48
GPR65 Q8IYL9 1/20 0.48

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
SCHEMBL2825083 0.91 MTNR1A (0.54) MTNR1BMTNR1ANQO2
SCHEMBL31613070 0.89 HSD17B10 (0.49)
SCHEMBL30695338 0.87 SIRT1 (0.56) MTNR1BMTNR1ANQO2C5AR1GPR183
SCHEMBL1844201 0.87 SIRT1 (0.56) MTNR1BMTNR1ANQO2C5AR1GPR183
SCHEMBL1844488 0.87 SIRT1 (0.56) MTNR1BMTNR1ANQO2C5AR1GPR183
SCHEMBL1842659 0.87 SIRT1 (0.56) MTNR1BMTNR1ANQO2C5AR1GPR183
Hydrochloric Acid SCHEMBL1846869 0.86 SIRT1 (0.55) MTNR1BMTNR1ANQO2C5AR1GPR183
SCHEMBL5847603 0.86 MTNR1A (0.54) MTNR1BMTNR1ANQO2C5AR1GPR183
SCHEMBL1846866 0.86 MTNR1B (0.52) MTNR1BMTNR1ANQO2C5AR1GPR183
SCHEMBL31613077 0.83 MTNR1A (0.52) MTNR1BMTNR1ANQO2C5AR1ACHE

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
EP-2205573-B1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2013-10-23 EP claimed
EP-2205573-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2010-07-14 EP claimed
WO-2009043780-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-04-09 WO claimed
EP-2205573-B1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 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-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof AR, NAT1, TBXA2R MTNR1B 87/4885MTNR1A 36/4885NQO2 1117/4885

“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.