SCHEMBL5963816

SCHEMBL5963816

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
FPR2 P25090 6/20 0.34
AKR1B1 P15121 1/20 0.34
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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) AKR1B1ALDH1A1
SCHEMBL5964210 0.88 AKR1B1 (0.34) FPR2AKR1B1LMNAALDH1A1
SCHEMBL5963456 0.88 SLC6A2 (0.36) CTSLCTSBCTSS
SCHEMBL5004773 0.88 ALDH1A1 (0.36) ALDH1A1
SCHEMBL5963556 0.88 KMT2A (0.34) CTSLCTSBCTSSLMNA
SCHEMBL5004858 0.87 AKR1B1 (0.33) FPR2AKR1B1
SCHEMBL5963362 0.86 GALR1 (0.34) CTSLCTSBCTSSALDH1A1
SCHEMBL5964212 0.86 KMT2A (0.36) LMNAALDH1A1
SCHEMBL5964409 0.82 OPRM1 (0.34) OPRM1OPRD1FPR2AKR1B1LMNA
SCHEMBL5963482 0.82 SLC6A2 (0.34) LMNAALDH1A1

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 4 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-7125840-B2 Substituted dipeptides as growth hormone secretagogues ELI LILLY AND COMPANY (US) 2006-10-24 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 OPRM1 3158/4885OPRD1 3293/4885FPR2 2452/4885

“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.