SCHEMBL5963585

SCHEMBL5963585

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
AKR1B1 P15121 1/20 0.39
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
PDE7B Q9NP56 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ADORA2A P29274 1/20 0.34
PTGS2 P35354 1/20 0.33
LMNA P02545 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
SCHEMBL5963733 0.90 PDE7A (0.41) POLBKMT2APDE7BPTGS2LMNA
SCHEMBL5963527 0.90 ALDH1A1 (0.42) POLBKMT2AALDH1A1HTTPDE7B
SCHEMBL5963658 0.90 AKR1B1 (0.40) AKR1B1KMT2AALDH1A1PDE7BLMNA
SCHEMBL5964489 0.90 FPR2 (0.40) POLBAKR1B1KMT2APDE7BRAB9A
SCHEMBL5963932 0.90 KMT2A (0.40) POLBKMT2AKDM4EALDH1A1PDE7B
SCHEMBL5963923 0.88 AKR1B1 (0.43) AKR1B1KMT2AALDH1A1HTTNPC1
SCHEMBL5963591 0.84 SLC6A4 (0.43) AKR1B1KMT2APDE7B
SCHEMBL5963769 0.81 PDE7B (0.39) AKR1B1PDE7BADORA2A
SCHEMBL5963968 0.78 PDE7B (0.38) KMT2APDE7BLMNA
SCHEMBL5964170 0.78 ALDH1A1 (0.39) KMT2AKDM4EALDH1A1PDE7BLMNA

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 POLB 4556/4885AKR1B1 4086/4885KMT2A 3557/4885

“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.