SCHEMBL5206904

SCHEMBL5206904

CC(C)C(Br)C(=O)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.43
TSHR P16473 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
MMP1 P03956 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
SCHEMBL9036055 0.83 SMN1; SMN2 (0.50) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL8488469 0.82 SMN1; SMN2 (0.48) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL5778346 0.81 SMN1; SMN2 (0.52) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL12448183 0.79 SMN1; SMN2 (0.50) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL10160044 0.79 SMN1; SMN2 (0.50) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL738198 0.79 SMN1; SMN2 (0.54) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL824919 0.78 SMN1; SMN2 (0.48) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL5486914 0.78 SMN1; SMN2 (0.48) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL8487298 0.78 SMN1; SMN2 (0.48) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL828715 0.78 SMN1; SMN2 (0.48) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175213-A4 HETEROCYCLIC AROMATIC COMPOUNDS USEFUL AS GROWTH HORMONE SECRETAGOGUES BRISTOL MYERS SQUIBB CO (US) 2007-04-11 EP disclosed
US-7053110-B2 Heterocyclic aromatic compounds useful as growth hormone secreagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-30 US disclosed
US-6969727-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-29 US disclosed
US-6908938-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-21 US disclosed
US-20040072881-A1 Heterocyclic aromatic compounds useful as growth hormone secreagogues ROBL JEFFREY A (US) 2004-04-15 US disclosed
US-20040029935-A1 Heterocyclic aromatic compounds useful as growth hormone secretagogues ROBL JEFFREY A (US) 2004-02-12 US disclosed
US-20040002525-A1 Heterocyclic aromatic compounds useful as growth hormone secretagogues A ROBL JEFFREY (US) 2004-01-01 US disclosed
US-6660760-B1 Treating obesity, osteoporosis BRISTOL-MYERS SQUIBB CO. 2003-12-09 US disclosed
US-6525203-B1 Treating obesity, osteoporosis by improving bone density and stimulating increase in muscle mass and strength BRISTOL-MYERS SQUIBB COMPANY 2003-02-25 US disclosed
US-6518292-B1 Stimulating endogenous production or release of growth hormone and in treating obesity, osteoporosis (improving bone density) and in improving muscle mass and muscle strength BRISTOL-MYERS SQUIBB CO. 2003-02-11 US disclosed
EP-1175213-A2 HETEROCYCLIC AROMATIC COMPOUNDS USEFUL AS GROWTH HORMONE SECRETAGOGUES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-30 EP disclosed
WO-2000054729-A2 HETEROCYCLIC AROMATIC COMPOUNDS USEFUL AS GROWTH HORMONE SECRETAGOGUES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-09-21 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 (3 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-20040072881-A1 Heterocyclic aromatic compounds useful as growth hormone secreagogues GHSR, GHRHR, SHBG SMN1; SMN2 1325/4885PKM 3025/4885CYP3A4 443/4885
US-20040002525-A1 Heterocyclic aromatic compounds useful as growth hormone secretagogues GHSR, GHRHR, NPY4R SMN1; SMN2 1071/4885PKM 2867/4885CYP3A4 555/4885
US-20040029935-A1 Heterocyclic aromatic compounds useful as growth hormone secretagogues GHSR, GHRHR, NPY4R SMN1; SMN2 1071/4885PKM 2867/4885CYP3A4 555/4885

“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.