SCHEMBL21476005

SCHEMBL21476005

CC(C)n1c(CN(C)C)cccc1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
IDH1 O75874 2/20 0.32
HRH3 Q9Y5N1 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
NPY5R Q15761 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
SCHEMBL22757234 0.73 ALDH1A1 (0.35) POLBALDH1A1TSHRIDH1MEN1
SCHEMBL12411028 0.69 POLB (0.37) POLBALDH1A1MEN1NPC1KMT2A
SCHEMBL13153200 0.68 ALDH1A1 (0.35) POLBALDH1A1TSHRHRH3MEN1
SCHEMBL29348235 0.67 PGR (0.36) POLBALDH1A1
SCHEMBL27407441 0.67 POLB (0.40) POLBALDH1A1
SCHEMBL11920593 0.67 POLB (0.36) POLBALDH1A1
SCHEMBL2741639 0.67 POLB (0.36) POLBALDH1A1KMT2A
SCHEMBL9354143 0.62 IDH1 (0.37) POLBALDH1A1IDH1
SCHEMBL11344644 0.62 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL1106511 0.61 HRH3 (0.41) ALDH1A1TSHRHRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174228-B2 Antagonists of human integrin (α4)(β7) MORPHIC THERAPEUTIC, INC. (US) 2021-11-16 US disclosed
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2020-12-10 US disclosed
WO-2019200202-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. (US) 2019-10-17 WO 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-11174228-B2 Antagonists of human integrin (α4)(β7) ITGB7, ITGB4, ITGA4 POLB 3315/4885ALDH1A1 1457/4885TSHR 959/4885
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 POLB 3556/4885ALDH1A1 1361/4885TSHR 1185/4885

“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.