SCHEMBL16646451

SCHEMBL16646451

CC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)O1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ RECQL P46063 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ THRB P10828 1/20 0.35

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
SCHEMBL24404847 1.00 NR1H2 (0.47) NR1H2SMN1; SMN2USP2RECQLALDH1A1
SCHEMBL29017228 0.88 NR1H2 (0.54) NR1H2SMN1; SMN2USP2RECQLALDH1A1
SCHEMBL22078745 0.88 NR1H2 (0.54) NR1H2SMN1; SMN2USP2RECQLALDH1A1
SCHEMBL16633063 0.88 NR1H2 (0.54) NR1H2SMN1; SMN2USP2RECQLALDH1A1
SCHEMBL29239209 0.88 NR1H2 (0.54) NR1H2SMN1; SMN2USP2RECQLALDH1A1
SCHEMBL16633062 0.88 NR1H2 (0.54) NR1H2SMN1; SMN2USP2RECQLALDH1A1
SCHEMBL16633471 0.88 NR1H2 (0.54) NR1H2SMN1; SMN2USP2RECQLALDH1A1
SCHEMBL21193259 0.88 NR1H2 (0.54) NR1H2SMN1; SMN2USP2RECQLALDH1A1
SCHEMBL29017236 0.88 NR1H2 (0.54) NR1H2SMN1; SMN2USP2RECQLALDH1A1
SCHEMBL22079700 0.87 NR1H2 (0.46) NR1H2SMN1; SMN2USP2RECQLALDH1A1

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-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-16 — — 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-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 NR1H2 333/4885SMN1; SMN2 4710/4885USP2 2126/4885

“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.

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