SCHEMBL5963677

SCHEMBL5963677

CC1=C(c2ccc(Cl)cc2)C(=O)N(C)C12CCCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 1/20 0.35
HSD11B1 P28845 5/20 0.35
KDM4E B2RXH2 1/20 0.34
PGR P06401 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
GSK3B P49841 1/20 0.33
LMNA P02545 1/20 0.33
NLRP3 Q96P20 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
HTR1A P08908 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL5963356 0.83 GRIN1 (0.44) PTGS2ALDH1A1KDM4EHTR1A
SCHEMBL5964447 0.81 PTGS2 (0.36) PTGS2ALDH1A1HSD11B1KDM4EPGR
SCHEMBL5964124 0.77 LMNA (0.33) PTGS2HSD11B1PGRLMNANLRP3
SCHEMBL5963662 0.70 ADORA2B (0.35) ALDH1A1HSD11B1KDM4EL3MBTL1DRD2
SCHEMBL5963925 0.69 ACACB (0.45) PTGS2GSK3B
SCHEMBL29644733 0.67 PTGS2 (0.70) PTGS2ALDH1A1KDM4ELMNACYP1A2
SCHEMBL5963426 0.67 SLC6A2 (0.36) PTGS2GSK3BSLC6A4SLC6A3
SCHEMBL5963367 0.65 GRIN1 (0.41) PTGS2ALDH1A1KDM4EDRD2HTR1A
SCHEMBL5963542 0.64 DRD2 (0.35) PTGS2ALDH1A1HSD11B1KDM4EPGR
SCHEMBL8643698 0.64 HSD11B1 (0.37) ALDH1A1HSD11B1L3MBTL1SLC6A4SLC6A3

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 PTGS2 3956/4885ALDH1A1 4282/4885HSD11B1 1622/4885

“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.