SCHEMBL5963723

SCHEMBL5963723

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.39
AKR1B1 P15121 1/20 0.39
LMNA P02545 1/20 0.38
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
PDE7A Q13946 4/20 0.34
TDP2 O95551 1/20 0.33
KMT2A Q03164 1/20 0.32
AURKA O14965 1/20 0.32
CDK1 P06493 1/20 0.32
NEK2 P51955 1/20 0.32
PLK1 P53350 1/20 0.32
NEK7 Q8TDX7 1/20 0.32
HAO1 Q9UJM8 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
SCHEMBL5963575 0.87 PDE7A (0.39) FPR2AKR1B1PDE7AKMT2A
SCHEMBL5964553 0.87 PDE7A (0.45) LMNAPDE7AKMT2A
SCHEMBL5964262 0.87 ALDH1A1 (0.44) PDE7AKMT2A
SCHEMBL5963550 0.87 TSHR (0.42) LMNAPDE7AKMT2A
SCHEMBL5963581 0.84 PDE7A (0.42) AKR1B1PDE7AKMT2A
SCHEMBL5964489 0.82 FPR2 (0.40) FPR2AKR1B1LMNAOPRM1OPRD1
SCHEMBL5964451 0.81 PDE7A (0.38) PDE7A
SCHEMBL5963779 0.78 PGR (0.43) PDE7ATDP2
SCHEMBL5963586 0.76 HAO1 (0.34) FPR2LMNATDP2KMT2AAURKA
SCHEMBL5964235 0.75 SMN1; SMN2 (0.48) PDE7AKMT2A

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 FPR2 2452/4885AKR1B1 4086/4885LMNA 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.