SCHEMBL25253607

SCHEMBL25253607

O=C1N[C@H](CCC(=O)N2CC3(CCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4F)CC3)C2)CO1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 3/20 0.39
▸ TRPV4 Q9HBA0 6/20 0.37
▸ CA2 P00918 2/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.35
▸ PLA2G1B P04054 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ATG4B Q9Y4P1 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ENPP2 Q13822 3/20 0.34
▸ ATXN2 Q99700 3/20 0.34
▸ CNR1 P21554 1/20 0.34

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
SCHEMBL25262919 0.84 ENPP2 (0.39) ADAMTS5MGLLENPP2ATXN2
SCHEMBL25261087 0.80 ADAMTS5 (0.39) TRPV4ADAMTS5PKMENPP2ATXN2
SCHEMBL25290123 0.79 EPHX2 (0.40) CACNA1BTRPV4ADAMTS5PKMMGLL
SCHEMBL25253376 0.77 CACNA1B (0.48) CACNA1BTRPV4PLA2G1BPKMATG4B
SCHEMBL25296988 0.76 PRCP (0.38) ADAMTS5CYP2C9
SCHEMBL30409788 0.75 MGLL (0.44) CACNA1BPKMMGLL
SCHEMBL25146103 0.75 CACNA1B (0.41) CACNA1BTRPV4PLA2G1BPKMATG4B
SCHEMBL25295986 0.73 TEAD1 (0.38) CYP2C9
SCHEMBL25296539 0.73 F13A1 (0.50) CACNA1B
SCHEMBL31308002 0.72 EPHX2 (0.42) CACNA1BTRPV4MGLLCNR2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US claimed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP claimed
CN-115989228-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-04-18 — — CN claimed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 — — US claimed
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP disclosed
CN-115989228-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-04-18 — — CN disclosed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 — — 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-20220098176-A1 HETEROCYCLIC COMPOUNDS CBR3, BRIX1, CCNY CACNA1B 2069/4885TRPV4 4192/4885CA2 3696/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY CACNA1B 2069/4885TRPV4 4192/4885CA2 3696/4885

“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.

Send feedback