SCHEMBL21476004

SCHEMBL21476004

CC(C)n1cc(CC2CN(F)C2)ccc1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.35
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
BMPR1B O00238 8/20 0.32
BMPR1A P36894 8/20 0.32
ACVRL1 P37023 8/20 0.32
ACVR1 Q04771 8/20 0.32
TGFBR1 P36897 7/20 0.32
SCD5 Q86SK9 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PDE9A O76083 4/20 0.31

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
SCHEMBL21476023 0.87 PTGS2 (0.35) PTGS2PTGDR2BMPR1BBMPR1AACVRL1
SCHEMBL21484165 0.82 PTGS2 (0.37) PTGS2PTGDR2ADORA2AADORA1BMPR1B
SCHEMBL21476022 0.80 PTGS2 (0.35) PTGS2PTGDR2ADORA2AADORA1BMPR1B
SCHEMBL21484162 0.78 CREBBP (0.34) BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL15807129 0.72 PTGS2 (0.42) PTGS2PTGDR2ADORA2AADORA1BMPR1B
SCHEMBL21476011 0.71 AVPR1B (0.39) PTGS2PTGDR2ADORA2AADORA1BMPR1B
SCHEMBL1106463 0.71 PTGS2 (0.41) PTGS2PTGDR2ADORA2AADORA1BMPR1B
SCHEMBL1106511 0.68 HRH3 (0.41) PTGS2PTGDR2ADORA2AADORA1BMPR1B
SCHEMBL27256766 0.67 PTGS2 (0.38) PTGS2PTGDR2ADORA2AADORA1BMPR1B
SCHEMBL21475878 0.66 HRH3 (0.44) PTGS2PTGDR2HRH3

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 PTGS2 4519/4885PTGDR2 1564/4885ADORA2A 1739/4885
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 PTGS2 4366/4885PTGDR2 1496/4885ADORA2A 1727/4885

“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.