SCHEMBL5963362

SCHEMBL5963362

CCNCC1=C(c2cccc(Br)c2)S(=O)(=O)NC12CCCCC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
PDE7B Q9NP56 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL5963816 0.86 OPRM1 (0.35) CTSLCTSBCTSSALDH1A1
SCHEMBL5963556 0.86 KMT2A (0.34) CTSLCTSBCTSSKMT2APDE7B
SCHEMBL5964630 0.84 SMN1; SMN2 (0.41) GALR1CTSSMEN1KMT2ACYP2C9
SCHEMBL5963456 0.84 SLC6A2 (0.36) CTSLCTSBCTSSKMT2APDE7B
SCHEMBL5964162 0.83 ALDH1A1 (0.33) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL5963482 0.83 SLC6A2 (0.34) ALDH1A1PDE7B
SCHEMBL5963604 0.82 POLB (0.35) GALR1ALDH1A1MEN1KMT2APDE7B
SCHEMBL6817306 0.80 ALDH1A1 (0.38) GALR1CTSLCTSBCTSSALDH1A1
SCHEMBL5963588 0.80 LMNA (0.33) GALR1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL5004773 0.80 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2

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 3 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
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 GALR1 404/4885CTSL 627/4885CTSB 1032/4885

“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.