SCHEMBL5004773

SCHEMBL5004773

CCNCC1=C(c2ccc(F)cc2)S(=O)(=O)NC12CCCCC2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PLA2G7 Q13093 1/20 0.33
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SSTR3 P32745 1/20 0.32
SLC12A2 P55011 1/20 0.31
SLC12A5 Q9H2X9 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL5963604 0.90 POLB (0.35) ALDH1A1MEN1KMT2ASMN1; SMN2SSTR3
SCHEMBL5963816 0.88 OPRM1 (0.35) ALDH1A1
SCHEMBL5963456 0.88 SLC6A2 (0.36) KMT2ASMN1; SMN2SLC6A4SLC6A3SSTR3
SCHEMBL5964210 0.88 AKR1B1 (0.34) ALDH1A1SLC6A4SLC6A3SSTR3
SCHEMBL5963556 0.88 KMT2A (0.34) KMT2ASMN1; SMN2SLC6A4SLC6A3POLB
SCHEMBL5004858 0.87 AKR1B1 (0.33) KMT2ASLC6A4SLC6A3SSTR3
SCHEMBL5964212 0.86 KMT2A (0.36) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5963362 0.80 GALR1 (0.34) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5964630 0.79 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2SLC6A4SLC6A3
SCHEMBL5963749 0.79 FPR2 (0.34) ALDH1A1SMN1; SMN2SLC6A4SLC6A3SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326851-B1 SUBSTITUTED DIPEPTIDES AS GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2004-06-30 EP claimed
US-7396846-B2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
US-7396846-B2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
US-7396846-B2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
US-7125840-B2 Substituted dipeptides as growth hormone secretagogues ELI LILLY AND COMPANY (US) 2006-10-24 US disclosed
EP-1497316-B1 GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2006-07-05 EP disclosed
US-20050240001-A1 2-(2-Amino-2-methylpropionylamino)-3-(2,6-difluoro-3-methylphenyl)methoxy propionic acid N-[5-(4-chlorophenyl)-3,3-dimethyl-1,1-dioxo-2,3-dihydroisothiazol-4-ylmethyl]-N-ethylamide; endogenous human growth hormone controller; non-peptidyl in nature, more metabolically stable ELI LILLY AND COMPANY (US) 2005-10-27 US disclosed
EP-1326851-B1 SUBSTITUTED DIPEPTIDES AS GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2004-06-30 EP disclosed
US-20040058971-A1 Substituted dipeptides as growth hormone secretagogues ELI LILLY AND COMPANY 2004-03-25 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-20040058971-A1 Substituted dipeptides as growth hormone secretagogues GHSR, GHRHR, SSTR4 ALDH1A1 4282/4885MEN1 136/4885KMT2A 3557/4885

“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.