SCHEMBL21476023

SCHEMBL21476023

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
BMPR1B O00238 14/20 0.34
BMPR1A P36894 14/20 0.34
ACVRL1 P37023 14/20 0.34
ACVR1 Q04771 14/20 0.34
TGFBR1 P36897 13/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
SCD5 Q86SK9 1/20 0.32

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
SCHEMBL21476004 0.87 PTGS2 (0.37) PTGS2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL21484165 0.81 PTGS2 (0.37) PTGS2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL21476022 0.78 PTGS2 (0.35) PTGS2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL22381370 0.78 AOC2 (0.36) PTGS2SCD5
SCHEMBL15807129 0.73 PTGS2 (0.42) PTGS2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL21476011 0.72 AVPR1B (0.39) PTGS2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL1106463 0.72 PTGS2 (0.41) PTGS2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL21475964 0.70 HRH3 (0.50)
SCHEMBL1106511 0.69 HRH3 (0.41) PTGS2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL27256766 0.68 PTGS2 (0.38) PTGS2BMPR1BBMPR1AACVRL1ACVR1

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-10759756-B2 Antagonists of human integrin α4β7 MORPHIC THERAPEUTIC, INC. (US) 2020-09-01 US disclosed
WO-2019200202-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. (US) 2019-10-17 WO disclosed
US-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2019-10-17 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-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 PTGS2 4366/4885BMPR1B 1808/4885BMPR1A 1773/4885
US-10759756-B2 Antagonists of human integrin α4β7 ITGB7, ITGB4, ITGA4 PTGS2 4438/4885BMPR1B 1979/4885BMPR1A 2432/4885

“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.