SCHEMBL25839469

SCHEMBL25839469

COC(=O)N1CCN(c2ccc(C(C)C)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.68
MAPT P10636 7/20 0.66
ALDH1A1 P00352 4/20 0.66
KMT2A Q03164 2/20 0.66
SMN1; SMN2 Q16637 6/20 0.62
PANK3 Q9H999 5/20 0.58
MAPK1 P28482 3/20 0.56
TP53 P04637 2/20 0.56
THRB P10828 1/20 0.56
KDM4E B2RXH2 3/20 0.55
LMNA P02545 3/20 0.55
GAA P10253 3/20 0.55
ALOX15 P16050 2/20 0.55
ALOX12 P18054 2/20 0.55
HTT P42858 2/20 0.55
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL23544881 0.86 PANK3 (0.53) L3MBTL1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL2102828 0.84 L3MBTL1 (0.71) L3MBTL1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL10223333 0.84 MAPT (0.64) L3MBTL1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL19701980 0.82 MAPT (0.57) L3MBTL1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL5544811 0.82 L3MBTL1 (0.73) L3MBTL1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL14220699 0.82 L3MBTL1 (0.73) L3MBTL1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL5544806 0.82 L3MBTL1 (0.73) L3MBTL1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL10288811 0.82 PANK3 (0.58) L3MBTL1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL10169298 0.82 MAPT (0.71) L3MBTL1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL23544857 0.81 PANK3 (0.65) L3MBTL1MAPTALDH1A1KMT2ASMN1; SMN2

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-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 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-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 L3MBTL1 4396/4885MAPT 3409/4885ALDH1A1 2446/4885

“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.