SCHEMBL13820488

SCHEMBL13820488

CCOC(=O)c1nccn1C[C@H]1C[C@@H](C(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.36
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
RGS12 O14924 1/20 0.32
MAPT P10636 1/20 0.32
JMJD6 Q6NYC1 2/20 0.32
FPR2 P25090 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31
ELANE P08246 1/20 0.31
PIK3CA P42336 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
OGA O60502 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
SCHEMBL30554029 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10RGS12
SCHEMBL10216908 0.76 KMT2A (0.41) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL12706154 0.75 LPO (0.42) ALDH1A1KDM4EHPGDHSD17B10RGS12
SCHEMBL30554007 0.75 HPGD (0.38) ALDH1A1KDM4EHPGDHSD17B10RGS12
SCHEMBL10217046 0.74 MAPK1 (0.39) ALDH1A1HSD17B10LMNAMAPT
SCHEMBL30554028 0.73 JMJD6 (0.42) ALDH1A1KDM4EHPGDHSD17B10RGS12
SCHEMBL10217022 0.72 KCNH2 (0.35) ALDH1A1LMNASMN1; SMN2
SCHEMBL28413706 0.72 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10RGS12
SCHEMBL4675474 0.72 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10RGS12
SCHEMBL13031578 0.72 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10RGS12

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-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls NOVARTIS AG (CH) 2012-11-15 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-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls CYP1B1, CYP11B2, CCNI OPRD1 1615/4885ALDH1A1 385/4885KDM4E 1662/4885

“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.