SCHEMBL5209733

SCHEMBL5209733

COC(=O)CCNC(=O)[C@H](N)COCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.48
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GHSR Q92847 2/20 0.42
TLR2 O60603 1/20 0.41
LTA4H P09960 1/20 0.41
FOLH1 Q04609 1/20 0.41
CTSS P25774 1/20 0.41
TACR1 P25103 2/20 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
SCHEMBL17426 0.87 SLC1A1 (0.50) SLC1A1HTTSMN1; SMN2GHSRCTSS
SCHEMBL9990986 0.87 SLC1A1 (0.50) SLC1A1HTTSMN1; SMN2GHSRCTSS
SCHEMBL7398925 0.84 SLC15A1 (0.51) LTA4H
SCHEMBL3586820 0.84 SLC1A1 (0.52) SLC1A1HTTSMN1; SMN2CA7CA9
SCHEMBL3580688 0.82 HTT (0.50) SLC1A1HTTSMN1; SMN2CTSSTACR1
SCHEMBL3580682 0.82 HTT (0.50) SLC1A1HTTSMN1; SMN2CTSSTACR1
Trifluoroacetic Acid SCHEMBL25141 0.81 SLC1A1 (0.45) SLC1A1CTSS
SCHEMBL1576805 0.81 SLC1A1 (0.55) SLC1A1HTTSMN1; SMN2CA12CA7
SCHEMBL13165228 0.80 SLC1A1 (0.54) SLC1A1HTTSMN1; SMN2ALDH1A1LTA4H
SCHEMBL14580892 0.80 SLC1A1 (0.54) SLC1A1HTTSMN1; SMN2ALDH1A1LTA4H

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 SLC1A1 2463/4885HTT 1329/4885SMN1; SMN2 1325/4885
US-20040002525-A1 Heterocyclic aromatic compounds useful as growth hormone secretagogues GHSR, GHRHR, NPY4R SLC1A1 3248/4885HTT 698/4885SMN1; SMN2 1071/4885
US-20040029935-A1 Heterocyclic aromatic compounds useful as growth hormone secretagogues GHSR, GHRHR, NPY4R SLC1A1 3248/4885HTT 698/4885SMN1; SMN2 1071/4885

“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.