SCHEMBL5963527

SCHEMBL5963527

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLA2G7 Q13093 1/20 0.39
POLB P06746 2/20 0.39
SLC12A2 P55011 1/20 0.35
SLC12A5 Q9H2X9 1/20 0.35
PDE7B Q9NP56 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SSTR3 P32745 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
PTGS1 P23219 1/20 0.32
RAB9A P51151 1/20 0.31

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) ALDH1A1KMT2AMEN1POLBPDE7B
SCHEMBL5963658 0.88 AKR1B1 (0.40) ALDH1A1KMT2APDE7BL3MBTL1LMNA
SCHEMBL5964489 0.88 FPR2 (0.40) KMT2APOLBPDE7BLMNARAB9A
SCHEMBL5963733 0.88 PDE7A (0.41) KMT2APOLBPDE7BSLC6A4SLC6A3
SCHEMBL5963932 0.88 KMT2A (0.40) ALDH1A1KMT2APOLBPDE7BLMNA
SCHEMBL5963923 0.86 AKR1B1 (0.43) ALDH1A1KMT2AMEN1SSTR3HTT
SCHEMBL5963591 0.82 SLC6A4 (0.43) KMT2APDE7BSLC6A4SLC6A3
SCHEMBL5964262 0.81 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2PLA2G7
SCHEMBL5963769 0.79 PDE7B (0.39) PDE7BSLC6A4SLC6A3
SCHEMBL5963968 0.76 PDE7B (0.38) KMT2APDE7BSLC6A4LMNA

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 ALDH1A1 4282/4885KMT2A 3557/4885MEN1 136/4885

“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.