SCHEMBL4048001

SCHEMBL4048001

N#CN1CCC2(CC1)OC(=O)c1ccccc12

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.58
NPY5R Q15761 9/20 0.50
AVPR1A P37288 8/20 0.50
TNKS O95271 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46

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
SCHEMBL4372121 0.82 NPY5R (0.46) SIGMAR1NPY5RAVPR1A
SCHEMBL4360871 0.82 AVPR1A (0.54) SIGMAR1NPY5RAVPR1A
SCHEMBL3841581 0.82 AVPR1A (0.54) SIGMAR1NPY5RAVPR1A
SCHEMBL8777675 0.80 SIGMAR1 (0.61) SIGMAR1NPY5RAVPR1A
SCHEMBL8913424 0.80 SIGMAR1 (0.62) SIGMAR1NPY5RAVPR1A
SCHEMBL10252829 0.77 SIGMAR1 (0.58) SIGMAR1NPY5RAVPR1ATNKSTNKS2
SCHEMBL9963268 0.76 SIGMAR1 (0.58) SIGMAR1NPY5RAVPR1A
SCHEMBL14543925 0.76 SIGMAR1 (0.70) SIGMAR1NPY5RAVPR1A
SCHEMBL8110392 0.76 SIGMAR1 (0.58) SIGMAR1NPY5RAVPR1A
SCHEMBL6427482 0.75 SIGMAR1 (0.56) SIGMAR1NPY5RAVPR1ATNKSTNKS2

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-7589096-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 US disclosed
EP-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 EP disclosed
US-20080188507-A1 Novel azole derivatives MSD K.K. (JP) 2008-08-07 US disclosed
US-7365079-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-29 US disclosed
EP-1566384-A1 NOVEL AZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-24 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-20080188507-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R SIGMAR1 1141/4885NPY5R 2/4885AVPR1A 274/4885

“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.