SCHEMBL895701

SCHEMBL895701

CC(C)(C)OC(=O)N1CCCC2(CC(c3ccccc3)=NO2)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.48
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CKS1B P61024 2/20 0.45
SKP1 P63208 2/20 0.45
SKP2 Q13309 2/20 0.45
USP30 Q70CQ3 4/20 0.44
HPGDS O60760 3/20 0.43
GPR119 Q8TDV5 1/20 0.41
CYP11B2 P19099 1/20 0.40
KIT P10721 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
SCHEMBL15838010 0.94 SCD5 (0.52) SCD5CKS1BSKP1SKP2USP30
SCHEMBL15838007 0.89 SCD5 (0.45) SCD5CHRNB4CHRNA3CKS1BSKP1
SCHEMBL5131427 0.88 SCD5 (0.49) SCD5CHRNB4CHRNA3CKS1BSKP1
SCHEMBL895058 0.84 CHRNB4 (0.49) CHRNB4CHRNA3
SCHEMBL25383112 0.82 GPR119 (0.46) SCD5CKS1BSKP1SKP2USP30
SCHEMBL26387369 0.81 USP2 (0.41) SCD5USP30GPR119CYP11B2
SCHEMBL12901470 0.80 USP2 (0.40) SCD5USP30GPR119CYP11B2
SCHEMBL12901471 0.80 USP2 (0.40) SCD5USP30GPR119CYP11B2
SCHEMBL12901444 0.80 USP2 (0.40) SCD5USP30GPR119CYP11B2
SCHEMBL25110341 0.80 USP2 (0.40) SCD5USP30GPR119CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440204-B1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-12-18 EP disclosed
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
EP-2440204-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS Bristol-Myers Squibb Company (US) 2012-04-18 EP disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 US disclosed
WO-2010144647-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-16 WO disclosed
WO-2010144647-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-16 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT SCD5 2300/4885CHRNB4 2625/4885CHRNA3 2203/4885

“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.