SCHEMBL5963859

SCHEMBL5963859

CCN1C2(CCCCC2)C(C)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
CYP2B6 P20813 1/20 0.33
PRCP P42785 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PKM P14618 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 1/20 0.33
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL5964017 0.81 GRIN1 (0.36) SLC6A2SLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL5963964 0.80 LMNA (0.31) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL5963561 0.72 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL5963606 0.68 LMNA (0.32) SLC6A2SLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL5963662 0.68 ADORA2B (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL6821055 0.66 RXFP1 (0.34) SIGMAR1PKMOPRM1OPRD1RXFP1
SCHEMBL6820669 0.65 OPRM1 (0.34) SIGMAR1PKMOPRM1OPRD1RXFP1
SCHEMBL6817272 0.65 OPRM1 (0.34) SIGMAR1PKMOPRM1OPRD1RXFP1
SCHEMBL5964149 0.63 GALR1 (0.37) LMNASMN1; SMN2
SCHEMBL1998186 0.58 CA12 (0.50) NR1H2NR1H3SMN1; 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
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 SLC6A2 1380/4885SLC6A4 794/4885SLC6A3 981/4885

“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.