SCHEMBL5963550

SCHEMBL5963550

O=C1NC2(CCCCC2)C(CBr)=C1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
KMT2A Q03164 3/20 0.41
PDE7A Q13946 6/20 0.41
PDE5A O76074 1/20 0.39
PDE4A P27815 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE1C Q14123 1/20 0.39
PDE7B Q9NP56 1/20 0.39
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
GSK3B P49841 1/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL5964553 0.97 PDE7A (0.45) TSHRKMT2APDE7APDE5APDE4A
SCHEMBL5963723 0.87 FPR2 (0.39) KMT2APDE7ALMNA
SCHEMBL5963575 0.86 PDE7A (0.39) KMT2APDE7AALDH1A1GSK3B
SCHEMBL5964262 0.86 ALDH1A1 (0.44) KMT2APDE7AALDH1A1POLB
SCHEMBL5963779 0.84 PGR (0.43) PDE7APDE5APDE4APDE1APDE1B
SCHEMBL5963581 0.82 PDE7A (0.42) TSHRKMT2APDE7AALDH1A1KDM4E
SCHEMBL5964235 0.81 SMN1; SMN2 (0.48) KMT2APDE7A
SCHEMBL5964218 0.81 PDE7A (0.45) KMT2APDE7APDE5APDE4APDE1A
SCHEMBL5963932 0.80 KMT2A (0.40) TSHRKMT2APDE7APDE5APDE4A
SCHEMBL5964451 0.80 PDE7A (0.38) PDE7APDE5APDE4APDE1APDE1B

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 TSHR 224/4885KMT2A 3557/4885PDE7A 1888/4885

“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.