SCHEMBL2264128

SCHEMBL2264128

CCNC(C)c1cn[nH]c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.39
ROCK2 O75116 6/20 0.36
KCNH2 Q12809 1/20 0.35
ACACB O00763 1/20 0.35
MET P08581 1/20 0.34
LMNA P02545 1/20 0.34
APEX1 P27695 1/20 0.34
PMP22 Q01453 1/20 0.34
NOS2 P35228 1/20 0.34
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL10864323 0.80 AKT1 (0.46) AKT1KCNH2ACACBMETLMNA
SCHEMBL6671851 0.78 AKT1 (0.45) AKT1ROCK2KCNH2ACACBLMNA
SCHEMBL7981853 0.78 AKT1 (0.38) AKT1KCNH2METLMNANOS2
SCHEMBL7981642 0.75 AKT1 (0.34) AKT1METNOS2CYP2C8CYP2D6
SCHEMBL7879844 0.74
SCHEMBL84454 0.72
SCHEMBL8175926 0.72 KCNH2 (0.34) AKT1ROCK2KCNH2ACACBLMNA
SCHEMBL12464827 0.71 KCNH2 (0.41) AKT1KCNH2LMNAAPEX1PMP22
SCHEMBL7999488 0.71 AKT1 (0.32) AKT1CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL19333946 0.71 KCNH2 (0.37) AKT1KCNH2ACACBLMNAAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003654-B2 N-glycinsulfonamide derivatives and uses as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-23 US disclosed
US-20090275588-A1 NOVEL SULFONAMIDE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2009-11-05 US disclosed
EP-2007717-A1 NOVEL SULFONAMIDE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-12-31 EP disclosed
WO-2007116374-A1 NOVEL SULFONAMIDE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-10-18 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-20090275588-A1 NOVEL SULFONAMIDE COMPOUNDS HCRTR2, HCRTR1, NPSR1 AKT1 3692/4885ROCK2 3449/4885KCNH2 1995/4885

“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.