SCHEMBL25327554

SCHEMBL25327554

O=C(N1CC2(CC(Cc3ccc(Cl)cn3)C2)C1)N1CC2(CC(c3ncn[nH]3)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.39
▸ CYP11B1 P15538 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ LMNA P02545 1/20 0.31
▸ SMYD3 Q9H7B4 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ TACR3 P29371 1/20 0.31
▸ AVPR1A P37288 2/20 0.30
▸ PAK1 Q13153 1/20 0.30
▸ TRPV1 Q8NER1 2/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ SCD5 Q86SK9 1/20 0.30

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
SCHEMBL30553269 1.00 MGLL (0.39) MGLLCYP11B1CYP11B2TRPA1LMNA
SCHEMBL25325375 0.85 MGLL (0.44) MGLLCYP11B1CYP11B2PAK1TRPV1
SCHEMBL30700257 0.85 TRPA1 (0.39) MGLLTRPA1TACR3PAK1SCD5
SCHEMBL25324067 0.83 MGLL (0.41) MGLLKIT
SCHEMBL30699864 0.82 TRPA1 (0.37) TRPA1LMNATACR3PAK1L3MBTL1
SCHEMBL25327858 0.79 MGLL (0.38) MGLLCYP11B1CYP11B2
SCHEMBL30553263 0.79 MGLL (0.38) MGLLCYP11B1CYP11B2
SCHEMBL30553165 0.78 TRPA1 (0.38) MGLLCYP11B1CYP11B2TRPA1SMYD3
SCHEMBL25325473 0.78 TRPA1 (0.38) MGLLCYP11B1CYP11B2TRPA1SMYD3
SCHEMBL30699861 0.78 MGLL (0.40) MGLLKIT

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 4 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
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
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 3523/4885CYP11B1 120/4885CYP11B2 151/4885

“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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