SCHEMBL5964441

SCHEMBL5964441

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.42
PTGS2 P35354 1/20 0.42
AKR1B1 P15121 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
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
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP2C9 P11712 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
SCHEMBL5963581 0.87 PDE7A (0.42) PDE7APTGS2AKR1B1NPC1ALDH1A1
SCHEMBL5963923 0.83 AKR1B1 (0.43) PDE7APTGS2AKR1B1NPC1ALDH1A1
SCHEMBL5963594 0.81 PDE7A (0.46) PDE7APTGS2AKR1B1NPC1ALDH1A1
SCHEMBL5963443 0.79 CASP3 (0.46) AKR1B1NPC1ALDH1A1HPGDMEN1
SCHEMBL5963723 0.70 FPR2 (0.39) PDE7AAKR1B1KMT2A
SCHEMBL5964553 0.69 PDE7A (0.45) PDE7APTGS2KMT2ASLC6A4SLC6A3
SCHEMBL5963575 0.69 PDE7A (0.39) PDE7APTGS2AKR1B1ALDH1A1KMT2A
SCHEMBL5964262 0.69 ALDH1A1 (0.44) PDE7AALDH1A1MEN1KMT2AMAPT
SCHEMBL5963585 0.69 POLB (0.42) PTGS2AKR1B1NPC1ALDH1A1MEN1
SCHEMBL5963550 0.69 TSHR (0.42) PDE7AALDH1A1KMT2AGSK3B

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 1888/4885PTGS2 3956/4885AKR1B1 4086/4885

“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.