SCHEMBL1310508

SCHEMBL1310508

CC(C)(C)OC(=O)NCCCCCCN1C(=O)CCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.55
ACE P12821 1/20 0.53
DRD4 P21917 7/20 0.50
DRD3 P35462 7/20 0.50
SIRT5 Q9NXA8 1/20 0.50
CHRM2 P08172 3/20 0.48
CHRM4 P08173 3/20 0.48
CHRM5 P08912 3/20 0.48
CHRM1 P11229 3/20 0.48
CHRM3 P20309 3/20 0.48
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 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
SCHEMBL30987427 0.96 DRD2 (0.53) DRD2ACEDRD4DRD3SIRT5
SCHEMBL30987423 0.89 DRD2 (0.52) DRD2ACEDRD4DRD3SIRT5
SCHEMBL5094706 0.82 GRIN1 (0.60) DRD2ACEGRIN1GRIN2B
SCHEMBL2838230 0.81 DRD2 (0.59) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL2409690 0.81 DRD2 (0.49) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL15189254 0.81 DRD2 (0.53) DRD2ACEDRD3
SCHEMBL13980490 0.80 SLC6A4 (0.57) DRD2ACEDRD4DRD3SIRT5
SCHEMBL2413737 0.80 DRD2 (0.51) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL18688683 0.80 DRD2 (0.58) DRD2ACEDRD4DRD3CHRM2
SCHEMBL30987424 0.79 DRD2 (0.50) DRD2ACECHRM1

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-1838696-B1 NOVEL CYANOGUANIDINE COMPOUNDS LEO PHARMA AS (DK) 2016-03-09 EP disclosed
US-8053446-B2 Cyanoguanidine compounds LEO PHARMA A/S (DK) 2011-11-08 US disclosed
US-20080312275-A1 Novel Cyanoguanidine Compounds LEO PHARMA A/S (DK) 2008-12-18 US disclosed
EP-1838696-A1 NOVEL CYANOGUANIDINE COMPOUNDS Leo Pharma A/S (DK) 2007-10-03 EP disclosed
WO-2006066584-A1 NOVEL CYANOGUANIDINE COMPOUNDS LEO PHARMA A/S (DK) 2006-06-29 WO 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-20080312275-A1 Novel Cyanoguanidine Compounds MKI67, CCNA1, COL1A1 DRD2 2257/4885ACE 2462/4885DRD4 3174/4885

“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.