SCHEMBL5481687

SCHEMBL5481687

CN(CC[C@@H](O)CN1CCOCC1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.61
POLB P06746 2/20 0.50
ATM Q13315 2/20 0.49
PKM P14618 1/20 0.48
ABCB1 P08183 3/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL5479122 0.82 HSD17B10 (0.52) HSD17B10POLBATMPKMABCB1
SCHEMBL5479116 0.82 HSD17B10 (0.52) HSD17B10POLBATMPKMABCB1
SCHEMBL11440371 0.78 HTR7 (0.53) HSD17B10POLBATMPKMKMT2A
SCHEMBL8474522 0.78 USP2 (0.62) HSD17B10POLBATMUSP2GAA
SCHEMBL21936197 0.69 HSD17B10 (0.64) HSD17B10POLBATMPKMABCB1
SCHEMBL29110818 0.69 L3MBTL1 (0.41) POLBSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL18159900 0.69 USP2 (0.69) HSD17B10POLBATMABCB1USP2
SCHEMBL14452546 0.69 POLB (0.51) HSD17B10POLBKMT2ASMN1; SMN2ALDH1A1
SCHEMBL24378058 0.69 PKM (0.84) PKMABCB1USP2GAAKMT2A
SCHEMBL8356145 0.69 PKM (0.84) PKMABCB1USP2GAAKMT2A

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 1 patent. 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

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 1794/4885POLB 3552/4885ATM 4379/4885

“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.