SCHEMBL4236883

SCHEMBL4236883

O=C1OC2(CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.55
NPY5R Q15761 13/20 0.52
HRH3 Q9Y5N1 1/20 0.51
CACNA1H O95180 1/20 0.50
CACNA2D1 P54289 1/20 0.50
CACNA1B Q00975 1/20 0.50
CACNB1 Q02641 1/20 0.50
CACNA1C Q13936 1/20 0.50
CACNA1G O43497 1/20 0.50
HSD11B1 P28845 3/20 0.48
CYP2D6 P10635 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
SCHEMBL3850632 0.84 NPY5R (0.52) SIGMAR1NPY5RHRH3
SCHEMBL3860397 0.82 SIGMAR1 (0.60) SIGMAR1NPY5RHRH3HSD11B1CYP2D6
SCHEMBL4228323 0.81 NPY5R (0.52) SIGMAR1NPY5RHRH3CACNA1BCACNA1C
SCHEMBL11839484 0.78 HRH3 (0.58) SIGMAR1NPY5RHRH3HSD11B1CYP2D6
SCHEMBL5344126 0.76 HRH3 (0.61) SIGMAR1NPY5RHRH3HSD11B1CYP2D6
SCHEMBL11840173 0.75 HRH3 (0.55) SIGMAR1NPY5RHRH3HSD11B1CYP2D6
SCHEMBL26330969 0.75 CACNA2D1 (0.81) CACNA1HCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL11837798 0.75 SIGMAR1 (0.60) SIGMAR1NPY5RHRH3
SCHEMBL8313978 0.75 SIGMAR1 (0.60) SIGMAR1NPY5RHRH3HSD11B1
SCHEMBL2001104 0.74 HRH3 (0.66) SIGMAR1NPY5RHRH3HSD11B1CYP2D6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193208-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2012-06-05 US claimed
US-20090118319-A1 Fused and Spirocycle Compounds and the Use Thereof EURO-CELTIQUE S.A. (LU) 2009-05-07 US claimed
US-8883816-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2014-11-11 US disclosed
US-20140045875-A1 Fused and Spirocycle Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2014-02-13 US disclosed
US-8546417-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2013-10-01 US disclosed
US-20120309778-A1 Fused and Spirocycle Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2012-12-06 US disclosed
US-8193208-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2012-06-05 US disclosed
US-20090118319-A1 Fused and Spirocycle Compounds and the Use Thereof EURO-CELTIQUE S.A. (LU) 2009-05-07 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 (3 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-20120309778-A1 Fused and Spirocycle Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1C SIGMAR1 220/4885NPY5R 683/4885HRH3 3548/4885
US-20090118319-A1 Fused and Spirocycle Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1C SIGMAR1 220/4885NPY5R 683/4885HRH3 3548/4885
US-20140045875-A1 Fused and Spirocycle Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1C SIGMAR1 220/4885NPY5R 683/4885HRH3 3548/4885

“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.