SCHEMBL25254744

SCHEMBL25254744

CN(Cc1ccc(C(F)(F)F)cc1F)C1CN(C(=O)CC[C@@H]2COC(=O)N2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.41
▸ KCNH2 Q12809 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ MGLL Q99685 2/20 0.38
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ RORC P51449 3/20 0.33
▸ DAO P14920 1/20 0.33
▸ PDK2 Q15119 2/20 0.33
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ POLB P06746 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
SCHEMBL27215969 0.85 KCNH2 (0.37) SLC6A4KCNH2CACNA1CSCN5AMGLL
SCHEMBL25290096 0.83 MGLL (0.46) KCNH2CACNA1CSCN5AMGLLADAMTS5
SCHEMBL28986570 0.83 KCNH2 (0.40) SLC6A4KCNH2CACNA1CSCN5AMGLL
SCHEMBL25254799 0.83 MGLL (0.46) KCNH2CACNA1CSCN5AMGLLADAMTS5
SCHEMBL25297074 0.83 MGLL (0.46) KCNH2CACNA1CSCN5AMGLLADAMTS5
SCHEMBL25294538 0.79 POLB (0.41) KCNH2CACNA1CSCN5AMGLLADAMTS5
SCHEMBL25262919 0.77 ENPP2 (0.39) KCNH2CACNA1CSCN5AMGLLADAMTS5
SCHEMBL25262695 0.77 SLC6A4 (0.50) SLC6A4KCNH2MGLLSLC6A2SLC6A3
SCHEMBL25253335 0.72 TEAD1 (0.44) KCNH2CACNA1CSCN5AADAMTS5
SCHEMBL25259349 0.72 TACR1 (0.47) SLC6A4SLC6A2SLC6A3HTR2ATACR1

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 6 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
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
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 SLC6A4 4365/4885KCNH2 792/4885CACNA1C 1547/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY SLC6A4 4365/4885KCNH2 792/4885CACNA1C 1547/4885

“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