SCHEMBL25323946

SCHEMBL25323946

CS(=O)(=O)c1cc(C(F)(F)F)ccc1CC1CC2(C1)CN(C(=O)N1CC3(CC(c4ncn[nH]4)C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.42
▸ PIM1 P11309 1/20 0.36
▸ CACNA1B Q00975 4/20 0.35
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ DDR1 Q08345 2/20 0.33
▸ NR1I2 O75469 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ OPRM1 P35372 2/20 0.31
▸ OPRL1 P41146 2/20 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
SCHEMBL30700591 0.92 MGLL (0.40) MGLLPIM1CACNA1BNR1I2OPRM1
SCHEMBL25324956 0.87 MGLL (0.41) MGLLCACNA1BDDR1NR1I2TYK2
SCHEMBL25325643 0.84 MGLL (0.43) MGLLCYP11B1CYP11B2GPR119
SCHEMBL30553203 0.84 MGLL (0.43) MGLLCYP11B1CYP11B2GPR119
SCHEMBL25326309 0.84 MGLL (0.43) MGLLCYP11B1CYP11B2GPR119
SCHEMBL25324998 0.83 MGLL (0.37) MGLLCACNA1BNR1I2GPR119TYK2
SCHEMBL25324690 0.83 MGLL (0.37) MGLLCACNA1BTYK2
SCHEMBL30700218 0.82 MGLL (0.43) MGLLPIM1PSEN1PSEN2APH1B
SCHEMBL25323631 0.82 MGLL (0.42) MGLLPIM1PSEN1PSEN2APH1B
SCHEMBL30700869 0.82 MGLL (0.37) MGLLCYP11B1CYP11B2GPR119

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-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US claimed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP claimed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO claimed
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US disclosed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — 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 (1 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-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 MGLL 3523/4885PIM1 3447/4885CACNA1B 1778/4885

“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