SCHEMBL21856479

SCHEMBL21856479

CC(C)(C)OC(=O)C(Br)c1cc(F)cnc1C1CCCCO1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDE1C Q14123 2/20 0.30
PDE1B Q01064 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
SCHEMBL25907537 0.88
SCHEMBL21856426 0.83 FEN1 (0.36)
SCHEMBL21767320 0.81 CFTR (0.39) CFTRL3MBTL1
SCHEMBL21767319 0.81 CFTR (0.39) CFTRL3MBTL1
SCHEMBL21856454 0.77 MTNR1A (0.38) HTR2CSLC6A4L3MBTL1PDE1CPDE1B
SCHEMBL25907577 0.71 PDE1C (0.33) PDE1CPDE1B
SCHEMBL21780626 0.71 BACE1 (0.35) CFTRL3MBTL1PDE1CPDE1B
SCHEMBL21953789 0.70 ALDH1A1 (0.33) PDE1CPDE1B
SCHEMBL21767458 0.69 SLC6A3 (0.40) CFTR
SCHEMBL21767591 0.69 SLC6A3 (0.40) CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528803-B2 Inhibitors of αvβ6 integrin MORPHIC THERAPEUTIC, INC. (US) 2026-01-20 US disclosed
EP-3844162-B1 INHIBITORS OF ALPHA V BETA6 INTEGRIN MORPHIC THERAPEUTIC INC (US) 2025-01-01 EP disclosed
US-20230242524-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-08-03 US disclosed
US-20230242524-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-08-03 US disclosed
EP-3844162-A1 INHIBITORS OF av beta6 INTEGRIN Morphic Therapeutic, Inc. (US) 2021-07-07 EP disclosed
WO-2020081154-A1 INHIBITORS OF ανβ6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-04-23 WO disclosed
WO-2020081154-A1 INHIBITORS OF ανβ6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-04-23 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-20230242524-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV CFTR 2079/4885HTR2C 4650/4885SLC6A4 3839/4885
US-12528803-B2 Inhibitors of αvβ6 integrin ITGB2, ITGB6, ITGA2 CFTR 392/4885HTR2C 846/4885SLC6A4 1966/4885

“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.