SCHEMBL5964262

SCHEMBL5964262

O=C1NC2(CCCCC2)C(CBr)=C1c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.43
PLA2G7 Q13093 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC12A2 P55011 1/20 0.34
SLC12A5 Q9H2X9 1/20 0.34
PDE7A Q13946 2/20 0.33
MAPT P10636 1/20 0.33
HSD11B1 P28845 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PTGS1 P23219 1/20 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
SCHEMBL5963723 0.87 FPR2 (0.39) KMT2APDE7A
SCHEMBL5964553 0.86 PDE7A (0.45) KMT2APDE7ASLC6A3
SCHEMBL5963575 0.86 PDE7A (0.39) ALDH1A1KMT2APDE7A
SCHEMBL5963550 0.86 TSHR (0.42) ALDH1A1POLBKMT2APDE7A
SCHEMBL5963581 0.83 PDE7A (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2PDE7A
SCHEMBL5963527 0.81 ALDH1A1 (0.42) ALDH1A1POLBPLA2G7KMT2AMEN1
SCHEMBL5964451 0.80 PDE7A (0.38) PDE7ASLC6A3
SCHEMBL5963779 0.76 PGR (0.43) PDE7A
SCHEMBL5964235 0.76 SMN1; SMN2 (0.48) KMT2AMEN1SMN1; SMN2PDE7ASLC6A3
SCHEMBL5964218 0.73 PDE7A (0.45) ALDH1A1POLBKMT2APDE7A

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 ALDH1A1 4282/4885POLB 4556/4885PLA2G7 2519/4885

“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.