SCHEMBL13749174

SCHEMBL13749174

CC(C)(C)OC(=O)N1CCOC[C@@H]1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.49
NR1H3 Q13133 4/20 0.49
RIPK1 Q13546 3/20 0.46
BACE1 P56817 2/20 0.46
TMEM97 Q5BJF2 3/20 0.44
SIGMAR1 Q99720 3/20 0.44
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SCD5 Q86SK9 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
HCRTR2 O43614 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
RXRA P19793 1/20 0.41

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
SCHEMBL14829637 1.00 NR1H2 (0.49) NR1H2NR1H3RIPK1BACE1TMEM97
SCHEMBL14829403 1.00 NR1H2 (0.49) NR1H2NR1H3RIPK1BACE1TMEM97
SCHEMBL14916072 0.89 CFB (0.42) NR1H2NR1H3BACE1USP2SMN1; SMN2
SCHEMBL2386027 0.87 NR1H2 (0.43) NR1H2NR1H3USP2SMN1; SMN2GPR119
SCHEMBL2386023 0.87 NR1H2 (0.43) NR1H2NR1H3USP2SMN1; SMN2GPR119
SCHEMBL21224528 0.87 USP2 (0.41) NR1H2NR1H3BACE1TMEM97SIGMAR1
SCHEMBL3398818 0.87 NR1H2 (0.43) NR1H2NR1H3USP2SMN1; SMN2GPR119
SCHEMBL21682785 0.87 NR1H2 (0.50) NR1H2NR1H3BACE1USP2SMN1; SMN2
SCHEMBL20879577 0.86 NR1H2 (0.46) NR1H2NR1H3RIPK1GPR119HCRTR2
SCHEMBL18394698 0.86 NPC1 (0.47) NR1H2NR1H3USP2SMN1; SMN2GPR119

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-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 NR1H2 3187/4885NR1H3 3488/4885RIPK1 1291/4885

“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.