SCHEMBL13209062

SCHEMBL13209062

CN(CC(=O)O)C1CCc2ccccc2C1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.51
NPY5R Q15761 1/20 0.50
PRMT5 O14744 1/20 0.49
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
DRD4 P21917 2/20 0.47
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
CHRM3 P20309 1/20 0.43

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
SCHEMBL8896234 0.89 DRD3 (0.44) HTR1ANPY5RDRD2DRD3
SCHEMBL7722811 0.85 HTR1A (0.52) HTR1ANPY5RPRMT5DRD2DRD3
SCHEMBL13209063 0.84 NPY5R (0.53) HTR1ANPY5RPRMT5DRD2DRD3
SCHEMBL19951715 0.80 NPY5R (0.60) HTR1ANPY5RPRMT5DRD2DRD3
SCHEMBL6953901 0.79 HTR1A (0.46) HTR1ANPY5RPRMT5DRD2DRD3
SCHEMBL12125968 0.79 DRD3 (0.65) HTR1APRMT5DRD2DRD3DRD4
SCHEMBL13209067 0.78 HTR1A (0.58) HTR1ANPY5RPRMT5DRD2DRD3
Hydrochloric Acid SCHEMBL11006228 0.77 HTR1A (0.50) HTR1ANPY5RDRD2DRD3DRD4
SCHEMBL9726022 0.77 HTR1A (0.44) HTR1ANPY5RPRMT5
SCHEMBL8672038 0.76 HTR1A (0.73) HTR1ADRD2DRD3DRD4

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
US-7776897-B2 such as 3-[1-(5-chloro-2-thienyl)cyclopenty]-5,6,7,8,9,10-hexahydro [1,2,4]triazolo[4,3-a]azocine, having a strong 11 beta -hydroxysteroid dehydrogenase type 1inhibitory activity and exhibiting an excellent blood-glucose level-lowering action, used for the therapy of diabetes and insulin resistance ASTELLAS PHARMA INC. (JP) 2010-08-17 US disclosed
US-7776897-B2 such as 3-[1-(5-chloro-2-thienyl)cyclopenty]-5,6,7,8,9,10-hexahydro [1,2,4]triazolo[4,3-a]azocine, having a strong 11 beta -hydroxysteroid dehydrogenase type 1inhibitory activity and exhibiting an excellent blood-glucose level-lowering action, used for the therapy of diabetes and insulin resistance ASTELLAS PHARMA INC. (JP) 2010-08-17 US disclosed
US-20070259854-A1 Triazole Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2007-11-08 US disclosed
US-20070259854-A1 Triazole Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2007-11-08 US disclosed
EP-1790641-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-05-30 EP 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-20070259854-A1 Triazole Derivative or Salt Thereof HSD11B1, HSD11B2, HSD3B1 HTR1A 2482/4885NPY5R 2759/4885PRMT5 1425/4885

“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.