SCHEMBL25328128

SCHEMBL25328128

CS(=O)(=O)c1ccc(CC2CC3(C2)CN(C(=O)N2CC4(CC(c5nnc(C6CCC6)[nH]5)C4)C2)C3)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 1/20 0.37
▸ CCR5 P51681 1/20 0.37
▸ MGLL Q99685 5/20 0.34
▸ CCR3 P51677 1/20 0.33
▸ GPR119 Q8TDV5 5/20 0.33
▸ GHSR Q92847 1/20 0.33
▸ EPHX1 P07099 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ JAK3 P52333 1/20 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
SCHEMBL25326672 0.96 CCR5 (0.38) GPBAR1CCR5MGLLCCR3GPR119
SCHEMBL25325132 0.91 CCR5 (0.38) GPBAR1CCR5MGLLCCR3GPR119
SCHEMBL25324987 0.89 OPRM1 (0.35) CCR5MGLLCCR3OPRM1OPRL1
SCHEMBL25328261 0.89 MGLL (0.36) GPBAR1CCR5MGLL
SCHEMBL25326713 0.86 CCR5 (0.36) GPBAR1CCR5MGLLCCR3GPR119
SCHEMBL25326033 0.85 MGLL (0.37) CCR5MGLLCCR3OPRM1OPRL1
SCHEMBL25325182 0.84 MGLL (0.39) GPBAR1MGLLGPR119OPRM1OPRL1
SCHEMBL25325975 0.83 LMNA (0.37) GPR119JAK2JAK1TYK2JAK3
SCHEMBL25325192 0.83 MGLL (0.37) GPBAR1MGLL
SCHEMBL30553306 0.83 MGLL (0.37) GPBAR1MGLL

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 GPBAR1 788/4885CCR5 98/4885MGLL 3523/4885

“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