SCHEMBL25324298

SCHEMBL25324298

CS(=O)(=O)c1cccc(CN2CC3(C2)CN(C(=O)N2CC4(CC(c5nnc(C6CC6)[nH]5)C4)C2)C3)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.40
▸ OPRM1 P35372 2/20 0.38
▸ OPRL1 P41146 2/20 0.38
▸ ROCK2 O75116 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ ACKR3 P25106 1/20 0.35
▸ GRM2 Q14416 4/20 0.34
▸ GRM3 Q14832 2/20 0.34
▸ FAAH O00519 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ SSTR5 P35346 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL25323899 0.92 DRD2 (0.43) DRD2OPRM1OPRL1ROCK2CHRM3
SCHEMBL25325975 0.89 LMNA (0.37) ROCK2KCNH2LMNAMEN1CYP2D6
SCHEMBL25326033 0.88 MGLL (0.37) DRD2OPRM1OPRL1GRM2GRM3
SCHEMBL25324987 0.85 OPRM1 (0.35) DRD2OPRM1OPRL1ROCK2GRM2
SCHEMBL25327965 0.84 FAAH (0.34) DRD2OPRM1OPRL1ROCK2GRM2
SCHEMBL25326089 0.81 NR3C1 (0.34) LMNACYP2D6
SCHEMBL25325454 0.81 CYP2D6 (0.38) FAAHCYP2D6
SCHEMBL25327267 0.81 MGLL (0.36) KMT2A
SCHEMBL25324777 0.81 LMNA (0.39) KCNH2LMNAMEN1CYP2D6KMT2A
SCHEMBL27150407 0.80 MGLL (0.50) DRD2OPRM1OPRL1ROCK2CHRM3

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 DRD2 71/4885OPRM1 1/4885OPRL1 18/4885

“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.

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