SCHEMBL1308684

SCHEMBL1308684

CC(C)(C)OC(=O)NCCCCCCn1ccccc1=O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.55
TDP1 Q9NUW8 1/20 0.50
SIGMAR1 Q99720 2/20 0.47
TPSAB1 Q15661 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.46
TPSG1 Q9NRR2 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL15765305 0.90 DRD2 (0.52) DRD2SIGMAR1
SCHEMBL27246689 0.81 TDP1 (0.52) DRD2TDP1SIGMAR1TPSAB1TPSD1
SCHEMBL30945709 0.81 DRD2 (0.48) DRD2TDP1MAOAMAOB
SCHEMBL22291518 0.79 TPSAB1 (0.54) DRD2TDP1TPSAB1TPSD1TPSG1
SCHEMBL9773851 0.79 TPSAB1 (0.54) DRD2TDP1TPSAB1TPSD1TPSG1
SCHEMBL31655700 0.79 TPSAB1 (0.54) DRD2TDP1TPSAB1TPSD1TPSG1
SCHEMBL31637593 0.78 DRD2 (0.46) DRD2TDP1SIGMAR1MAOAMAOB
SCHEMBL3387585 0.78 DRD2 (0.47) DRD2TDP1SIGMAR1
SCHEMBL8139824 0.77 BRD4 (0.53) DRD2TDP1TPSAB1TPSD1TPSG1
SCHEMBL8103180 0.77 DRD2 (0.57) DRD2TDP1MAOAMAOB

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 3 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

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 2257/4885TDP1 291/4885SIGMAR1 1113/4885

“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.