SCHEMBL5964554

SCHEMBL5964554

CCNCC1=C(Oc2ccc(Cl)cc2)C(=O)NC12CCCCC2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.38
FPR2 P25090 1/20 0.36
PDE7B Q9NP56 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
THRB P10828 1/20 0.34
LMNA P02545 1/20 0.34
PDE7A Q13946 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL5964467 0.90 ALDH1A1 (0.42) AKR1B1PDE7BL3MBTL1KMT2ALMNA
SCHEMBL5964180 0.82 PDE7A (0.38) AKR1B1FPR2PDE7BKMT2AMAOA
SCHEMBL5963658 0.80 AKR1B1 (0.40) AKR1B1FPR2PDE7BL3MBTL1KMT2A
SCHEMBL5963809 0.76 LMNA (0.36) L3MBTL1KMT2ATHRBLMNAKDM4E
SCHEMBL5963769 0.74 PDE7B (0.39) AKR1B1PDE7BPDE7A
SCHEMBL5963968 0.74 PDE7B (0.38) PDE7BKMT2ALMNAPDE7A
SCHEMBL5963923 0.74 AKR1B1 (0.43) AKR1B1KMT2APDE7AMEN1
SCHEMBL5963932 0.72 KMT2A (0.40) PDE7BKMT2ALMNAPDE7AKDM4E
SCHEMBL5963733 0.71 PDE7A (0.41) PDE7BKMT2ALMNAPDE7A
SCHEMBL5963591 0.70 SLC6A4 (0.43) AKR1B1PDE7BKMT2APDE7A

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 2 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
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 AKR1B1 4086/4885FPR2 2452/4885PDE7B 1268/4885

“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.