SCHEMBL5963556

SCHEMBL5963556

CCNCC1=C(c2ccccc2)S(=O)(=O)NC12CCCCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSS P25774 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PDE7A Q13946 2/20 0.32
NPC1 O15118 1/20 0.30
S1PR4 O95977 1/20 0.30
MAPT P10636 1/20 0.30
S1PR1 P21453 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
CCR6 P51684 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
LMNA P02545 1/20 0.30
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
SCHEMBL5963456 0.98 SLC6A2 (0.36) KMT2ACTSLCTSBCTSSSLC6A2
SCHEMBL5963604 0.90 POLB (0.35) KMT2AHTTRAB9ASMN1; SMN2POLB
SCHEMBL5963816 0.88 OPRM1 (0.35) CTSLCTSBCTSSLMNA
SCHEMBL5964210 0.88 AKR1B1 (0.34) SLC6A2SLC6A4SLC6A3LMNAPDE7B
SCHEMBL5004773 0.88 ALDH1A1 (0.36) KMT2ASLC6A4SLC6A3SMN1; SMN2POLB
SCHEMBL5964162 0.87 ALDH1A1 (0.33) KMT2AHTTSMN1; SMN2NPSR1LMNA
SCHEMBL5004858 0.86 AKR1B1 (0.33) KMT2ASLC6A2SLC6A4SLC6A3PDE7B
SCHEMBL5963482 0.86 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3MAPTLMNA
SCHEMBL5963362 0.86 GALR1 (0.34) KMT2ACTSLCTSBCTSSNPC1
SCHEMBL5964212 0.86 KMT2A (0.36) KMT2ASLC6A2SMN1; SMN2LMNA

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 KMT2A 3557/4885CTSL 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.