SCHEMBL5963542

SCHEMBL5963542

CN1C(=O)C(Oc2ccc(Cl)cc2)=C(CBr)C12CCCCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.35
ALDH1A1 P00352 5/20 0.35
LMNA P02545 4/20 0.35
LTA4H P09960 1/20 0.34
PTGS2 P35354 1/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
APEX1 P27695 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NLRP3 Q96P20 1/20 0.34
HSD11B1 P28845 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
PGR P06401 1/20 0.32
MMP9 P14780 3/20 0.32
MMP13 P45452 2/20 0.32
MMP2 P08253 2/20 0.32

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
SCHEMBL5963809 0.84 LMNA (0.36) DRD2ALDH1A1LMNALTA4HPTGS2
SCHEMBL5964447 0.79 PTGS2 (0.36) DRD2ALDH1A1LMNAPTGS2MAPT
SCHEMBL5964180 0.72 PDE7A (0.38) ALDH1A1LMNAHPGDKMT2AKDM4E
SCHEMBL5963426 0.68 SLC6A2 (0.36) PTGS2
SCHEMBL5964124 0.65 LMNA (0.33) DRD2LMNAPTGS2MAPTL3MBTL1
SCHEMBL5963677 0.64 PTGS2 (0.39) DRD2ALDH1A1LMNAPTGS2L3MBTL1
SCHEMBL5964554 0.61 AKR1B1 (0.38) LMNAKMT2AL3MBTL1KDM4E
SCHEMBL5963789 0.60 ALDH1A1 (0.43) ALDH1A1LMNAHPGDKMT2AKDM4E
SCHEMBL9654269 0.59 CES2 (0.56) ALDH1A1LMNAPTGS2HPGDKMT2A
SCHEMBL5963575 0.57 PDE7A (0.39) ALDH1A1PTGS2KMT2A

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 DRD2 1849/4885ALDH1A1 4282/4885LMNA 4666/4885

“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.