SCHEMBL1271997

SCHEMBL1271997

CC(C)(C)OC(=O)N1C[C@H]2CCCN2C[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
TRPV1 Q8NER1 4/20 0.38
RIPK2 O43353 2/20 0.35
XIAP P98170 2/20 0.35
NPC1 O15118 1/20 0.35
UCHL1 P09936 1/20 0.34
USP30 Q70CQ3 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PRKCB P05771 1/20 0.34
NTMT1 Q9BV86 1/20 0.33

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
SCHEMBL1273365 1.00 NR1H2 (0.44) NR1H2NR1H3TRPV1RIPK2XIAP
SCHEMBL8775323 0.87 TRPV1 (0.47) NR1H2NR1H3TRPV1RIPK2XIAP
SCHEMBL1272158 0.83 GRM5 (0.35) NPC1MEN1KMT2AHDAC4HDAC6
SCHEMBL1273843 0.82 GAA (0.43) NR1H2NR1H3UCHL1USP30MEN1
SCHEMBL28743783 0.82 NR1H2 (0.42) NR1H2NR1H3TRPV1RIPK2XIAP
SCHEMBL1273399 0.81 NR1H2 (0.57) NR1H2NR1H3NPC1UCHL1USP30
SCHEMBL1273546 0.81 NR1H2 (0.57) NR1H2NR1H3NPC1UCHL1USP30
SCHEMBL1273270 0.81 NR1H2 (0.40) NR1H2NR1H3UCHL1USP30L3MBTL1
SCHEMBL1273147 0.81 NR1H2 (0.40) NR1H2NR1H3UCHL1USP30L3MBTL1
SCHEMBL1273394 0.81 NR1H2 (0.40) NR1H2NR1H3UCHL1USP30L3MBTL1

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-20110034469-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 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-20110034469-A1 Heterocyclic Compound BIRC5, XIAP, BIRC2 NR1H2 4004/4885NR1H3 4178/4885TRPV1 397/4885

“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.