SCHEMBL11914745

SCHEMBL11914745

CC(C)c1nnc2ccc([N+](=O)[O-])cn12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK14 Q16539 15/20 0.42
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
STAT3 P40763 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL12510329 0.79 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL30631192 0.76 MAPT (0.49) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL30631237 0.75 MAPT (0.46) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL12824218 0.75 ALDH1A1 (0.46) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4319934 0.73 MAPT (0.52) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL38661608 0.72 SCN5A (0.51) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL16686924 0.72 ALDH1A1 (0.46) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL16691182 0.72 MAPT (0.43) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL16686955 0.72 MAPT (0.43) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL30631218 0.72 ALDH1A1 (0.45) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557841-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-15 US disclosed
US-20120252799-A1 HETEROCYCLIC AROMATIC COMPOUNDS USEFUL AS GROWTH HORMONE SECRETAGOGUES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-04 US disclosed
US-20120252799-A1 HETEROCYCLIC AROMATIC COMPOUNDS USEFUL AS GROWTH HORMONE SECRETAGOGUES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-04 US disclosed
US-8232291-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-31 US disclosed
US-20110224199-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 US disclosed
US-7977353-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-12 US disclosed
US-7910601-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 US disclosed
US-20100305114-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-02 US disclosed
US-7799801-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-21 US disclosed
US-7799801-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-21 US disclosed
US-20100016233-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-21 US disclosed
US-20090324625-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-31 US disclosed
US-20090324625-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-31 US disclosed
US-7592354-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-7589102-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-15 US disclosed
US-7166596-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-7166596-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 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 (5 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-20090324625-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R ALDH1A1 3846/4885MAPT 4330/4885CYP1A2 767/4885
US-20100016233-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R ALDH1A1 3846/4885MAPT 4330/4885CYP1A2 767/4885
US-20110224199-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R ALDH1A1 3846/4885MAPT 4330/4885CYP1A2 767/4885
US-20120252799-A1 HETEROCYCLIC AROMATIC COMPOUNDS USEFUL AS GROWTH HORMONE SECRETAGOGUES GHSR, GHRHR, NPY1R ALDH1A1 3846/4885MAPT 4330/4885CYP1A2 767/4885
US-20100305114-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R ALDH1A1 3846/4885MAPT 4330/4885CYP1A2 767/4885

“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.