SCHEMBL25324741

SCHEMBL25324741

O=C(N1CC(c2ccc(N3CC4(CCCC4)C3)nc2)C1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 3/20 0.39
▸ AVPR2 P30518 7/20 0.35
▸ OXTR P30559 10/20 0.34
▸ AVPR1A P37288 2/20 0.32
▸ DGAT2 Q96PD7 1/20 0.32
▸ ACACB O00763 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KLKB1 P03952 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
SCHEMBL30553268 0.90 AVPR2 (0.34) GRM1AVPR2OXTRAVPR1ADGAT2
SCHEMBL25324449 0.90 AVPR2 (0.34) GRM1AVPR2OXTRAVPR1ADGAT2
SCHEMBL30553166 0.89 ADRA1A (0.34) GRM1AVPR2OXTRAVPR1A
SCHEMBL25327881 0.89 ADRA1A (0.34) GRM1AVPR2OXTRAVPR1A
SCHEMBL30553302 0.88 GRM1 (0.36) GRM1AVPR2DGAT2CYP1A2CYP3A4
SCHEMBL25325627 0.88 GRM1 (0.36) GRM1AVPR2DGAT2CYP1A2CYP3A4
SCHEMBL30553200 0.88 ADRA1A (0.39) GRM1DGAT2ACACB
SCHEMBL25326517 0.88 ADRA1A (0.39) GRM1DGAT2ACACB
SCHEMBL25324783 0.88 AVPR2 (0.33) GRM1AVPR2OXTRACACB
SCHEMBL30553178 0.88 AVPR2 (0.33) GRM1AVPR2OXTRACACB

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 GRM1 775/4885AVPR2 132/4885OXTR 75/4885

“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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