SCHEMBL5963581

SCHEMBL5963581

COc1ccc(C2=C(CBr)C3(CCCCC3)NC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 3/20 0.42
AKR1B1 P15121 1/20 0.41
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGS2 P35354 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GSK3B P49841 2/20 0.38
HTT P42858 1/20 0.38
ME2 P23368 1/20 0.37
ME1 P48163 1/20 0.37
ME3 Q16798 1/20 0.37
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL5964441 0.87 PDE7A (0.42) PDE7AAKR1B1NPC1ALDH1A1HPGD
SCHEMBL5963723 0.84 FPR2 (0.39) PDE7AAKR1B1KMT2A
SCHEMBL5963923 0.83 AKR1B1 (0.43) PDE7AAKR1B1NPC1ALDH1A1HPGD
SCHEMBL5964553 0.83 PDE7A (0.45) PDE7APTGS2KMT2ATSHR
SCHEMBL5964262 0.83 ALDH1A1 (0.44) PDE7AALDH1A1MEN1KMT2AMAPT
SCHEMBL5963575 0.83 PDE7A (0.39) PDE7AAKR1B1ALDH1A1PTGS2KMT2A
SCHEMBL5963550 0.82 TSHR (0.42) PDE7AALDH1A1KMT2AGSK3BKDM4E
SCHEMBL5963594 0.81 PDE7A (0.46) PDE7AAKR1B1NPC1ALDH1A1HPGD
SCHEMBL5963443 0.79 CASP3 (0.46) AKR1B1NPC1ALDH1A1HPGDMEN1
SCHEMBL5964451 0.77 PDE7A (0.38) PDE7ATDP1

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 PDE7A 1888/4885AKR1B1 4086/4885NPC1 4150/4885

“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.