SCHEMBL5963658

SCHEMBL5963658

CCNCC1=C(c2ccc(Cl)cc2)C(=O)NC12CCCCC2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.40
FPR2 P25090 1/20 0.38
PDE7B Q9NP56 1/20 0.37
PDE7A Q13946 2/20 0.35
ACACB O00763 4/20 0.35
ACACA Q13085 4/20 0.35
KMT2A Q03164 1/20 0.34
GSK3B P49841 1/20 0.34
MGAT2 Q10469 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL5963585 0.90 POLB (0.42) AKR1B1PDE7BKMT2AALDH1A1LMNA
SCHEMBL5964489 0.88 FPR2 (0.40) AKR1B1FPR2PDE7BKMT2ALMNA
SCHEMBL5963527 0.88 ALDH1A1 (0.42) PDE7BKMT2AALDH1A1LMNAL3MBTL1
SCHEMBL5963733 0.88 PDE7A (0.41) PDE7BPDE7AKMT2ALMNA
SCHEMBL5963932 0.88 KMT2A (0.40) PDE7BPDE7AKMT2AALDH1A1LMNA
SCHEMBL5963591 0.87 SLC6A4 (0.43) AKR1B1PDE7BPDE7AKMT2A
SCHEMBL5963769 0.86 PDE7B (0.39) AKR1B1PDE7BPDE7AGSK3B
SCHEMBL5963923 0.86 AKR1B1 (0.43) AKR1B1PDE7AKMT2AGSK3BALDH1A1
SCHEMBL5963968 0.81 PDE7B (0.38) PDE7BPDE7AKMT2AGSK3BLMNA
SCHEMBL5963955 0.81 RECQL (0.39) FPR2KMT2AGSK3BALDH1A1LMNA

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.