SCHEMBL5479122

SCHEMBL5479122

CN(CCC(O)CN1CCOCC1)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
ABCB1 P08183 4/20 0.48
KCNJ4 P48050 1/20 0.48
POLB P06746 1/20 0.48
ATM Q13315 1/20 0.47
PKM P14618 1/20 0.46
ACHE P22303 2/20 0.46
CYP2D6 P10635 1/20 0.45
BCHE P06276 1/20 0.45
USP2 O75604 1/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
PLK1 P53350 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44

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
SCHEMBL5479116 1.00 HSD17B10 (0.52) HSD17B10GAAKMT2AABCB1KCNJ4
SCHEMBL5477835 0.88 HRH3 (0.50) HSD17B10KMT2AABCB1CYP2D6DRD2
SCHEMBL5477831 0.88 HRH3 (0.50) HSD17B10KMT2AABCB1CYP2D6DRD2
SCHEMBL5481687 0.82 HSD17B10 (0.61) HSD17B10GAAKMT2AABCB1KCNJ4
SCHEMBL21936197 0.79 HSD17B10 (0.64) HSD17B10GAAKMT2AABCB1KCNJ4
SCHEMBL8474522 0.76 USP2 (0.62) HSD17B10GAAKMT2APOLBATM
SCHEMBL4333075 0.74 KMT2A (0.61) HSD17B10GAAKMT2ACYP2D6
SCHEMBL4338285 0.74 KMT2A (0.61) HSD17B10GAAKMT2ACYP2D6
SCHEMBL5479079 0.73 CARM1 (0.51) POLBATMUSP2
SCHEMBL4798715 0.73 CARM1 (0.51) POLBATMUSP2

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-20070072859-A1 Pharmaceutical compounds ELI LILLY AND COMPANY (US) 2007-03-29 US disclosed
EP-1725518-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2006-11-29 EP disclosed
WO-2005092835-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2005-10-06 WO 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-20070072859-A1 Pharmaceutical compounds ADRB3, HTR3C, SLC6A2 HSD17B10 1794/4885GAA 3273/4885KMT2A 4312/4885

“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.