SCHEMBL21772136

SCHEMBL21772136

CC(C)(C)C1(C)CN(CCO)CCN1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL527703 0.73
SCHEMBL377823 0.73 LMNA (0.44) ALDH1A1LMNAMAPK1KDM4E
SCHEMBL377467 0.73 LMNA (0.44) ALDH1A1LMNAMAPK1KDM4E
SCHEMBL377693 0.71 RAB9A (0.40) ALDH1A1LMNAPOLBKDM4E
SCHEMBL377425 0.71 RAB9A (0.40) ALDH1A1LMNAPOLBKDM4E
SCHEMBL377869 0.70 KDM4E (0.53) ALDH1A1LMNAMAPK1KDM4E
SCHEMBL1631060 0.70 L3MBTL1 (0.52) ALDH1A1LMNATSHRMAPK1KDM4E
SCHEMBL9937728 0.70 CTSK (0.37) HSD11B1
SCHEMBL1704763 0.69 CYP4F2 (0.38) ALDH1A1LMNAKDM4E
SCHEMBL3565835 0.69 RAB9A (0.41) ALDH1A1LMNAPOLBKDM4E

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-10836763-B2 5 to 7 membered heterocyclic amides as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-11-17 US disclosed
US-20200071325-A1 5 TO 7 MEMBERED HETEROCYCLIC AMIDES AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-03-05 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 (2 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-10836763-B2 5 to 7 membered heterocyclic amides as JAK inhibitors JAK1, JAK2, JAK3 HSD11B1 3192/4885ALDH1A1 2183/4885LMNA 4866/4885
US-20200071325-A1 5 TO 7 MEMBERED HETEROCYCLIC AMIDES AS JAK INHIBITORS JAK1, JAK2, JAK3 HSD11B1 3192/4885ALDH1A1 2183/4885LMNA 4866/4885

“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.