SCHEMBL3661578

SCHEMBL3661578

CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(-c3cncc(-c4cc(NC5CC5)nc(-c5ccccn5)c4)c3)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.45
USP30 Q70CQ3 1/20 0.45
MCHR1 Q99705 1/20 0.44
KDM4D Q6B0I6 3/20 0.43
SCN9A Q15858 1/20 0.42
SYK P43405 2/20 0.41
JAK1 P23458 1/20 0.41
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
NPY5R Q15761 3/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
BTK Q06187 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
ROCK2 O75116 1/20 0.39

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
SCHEMBL4168192 0.82 HRH3 (0.40) AKT1MCHR1DRD2DRD4ROCK2
SCHEMBL3717886 0.82 HRH3 (0.40) AKT1MCHR1DRD2DRD4ROCK2
SCHEMBL4178389 0.81 HDAC1 (0.42) AKT1MCHR1
SCHEMBL3663923 0.81 HDAC1 (0.42) AKT1MCHR1
SCHEMBL3718095 0.81 GPR39 (0.39) AKT1MCHR1DRD2DRD4ROCK2
SCHEMBL3714748 0.80 TGFBR1 (0.46) MCHR1DRD2DRD4ROCK2
SCHEMBL3808218 0.78 ABL1 (0.44) AKT1MCHR1DRD2DRD4
SCHEMBL3721898 0.78 GPR39 (0.44) AKT1MCHR1DRD2DRD4ROCK2
SCHEMBL3719006 0.78 ACVR1 (0.43) AKT1MCHR1DRD2DRD4
SCHEMBL3719755 0.77 TBK1 (0.44) USP30MCHR1

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-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK AKT1 2658/4885USP30 2192/4885MCHR1 1154/4885

“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.