SCHEMBL10168925

SCHEMBL10168925

CC(C)N1CCC[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
ENPP3 O14638 3/20 0.50
ENPP1 P22413 3/20 0.50
CNR2 P34972 2/20 0.50
TRPV1 Q8NER1 2/20 0.50
ENPP2 Q13822 1/20 0.49
TRPV4 Q9HBA0 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RHOC P08134 1/20 0.46
RHOA P61586 1/20 0.46
RAB9A P51151 1/20 0.46
PKM P14618 1/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
EPHX1 P07099 1/20 0.45
EPHX2 P34913 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
SCHEMBL10168924 0.93 TRPV1 (0.54) GAAENPP3ENPP1CNR2TRPV1
SCHEMBL16076618 0.85 HPGD (0.57) GAAMEN1KMT2APKMPOLB
SCHEMBL18997929 0.85 HPGD (0.57) GAAMEN1KMT2APKMPOLB
SCHEMBL12975226 0.80 GAA (0.72) GAAENPP3ENPP1CNR2TRPV1
SCHEMBL13167580 0.80 ENPP3 (0.70) GAAENPP3ENPP1CNR2TRPV1
SCHEMBL23483452 0.79 ENPP3 (0.70) GAAENPP3ENPP1CNR2ENPP2
SCHEMBL8586120 0.77 NAMPT (0.66) GAAENPP3ENPP1TRPV1ENPP2
SCHEMBL20148032 0.77 ALDH1A1 (0.59) GAATRPV1MEN1KMT2APKM
SCHEMBL10168928 0.77 ALDH1A1 (0.59) GAATRPV1MEN1KMT2APKM
SCHEMBL7704030 0.75 ATM (0.54) GAAMEN1KMT2APOLBALDH1A1

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 2 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

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 GAA 1274/4885ENPP3 442/4885ENPP1 216/4885

“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.