SCHEMBL10168587

SCHEMBL10168587

CC(C)N1CCCC2(CC(c3ccc4ccccc4c3)=NO2)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
SSTR5 P35346 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.34
HSD11B1 P28845 2/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
VCP P55072 1/20 0.33
CYP2C9 P11712 1/20 0.33
PTPN11 Q06124 1/20 0.32
HTR2B P41595 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL10168605 0.86 CHRNB4 (0.52) CHRNB4CHRNA3SSTR5HTR2B
SCHEMBL10211559 0.85 CHRNB4 (0.41) PYGLCHRNB4CHRNA3SSTR5KDM4E
SCHEMBL10168575 0.80 CHRNB4 (0.40) CHRNB4CHRNA3SSTR5PKM
SCHEMBL10168595 0.79 CRBN (0.42) CHRNB4CHRNA3KDM4EALDH1A1GAA
SCHEMBL10168567 0.77 CHRNB4 (0.36) CHRNB4CHRNA3MAPK1CYP2C9
SCHEMBL14507947 0.73 CHRNB4 (0.50) CHRNB4CHRNA3SSTR5HTR2B
SCHEMBL10168596 0.73
SCHEMBL15855834 0.72 PYGL (0.48) PYGLCHRNB4CHRNA3ALDH1A1MAPT
SCHEMBL15837600 0.72 PYGL (0.42) PYGLKDM4EALDH1A1LMNAMAPT
SCHEMBL10168667 0.71

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
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 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

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 PYGL 775/4885CHRNB4 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.