SCHEMBL25326517

SCHEMBL25326517

O=C(N1CC(c2ccc(N3CCS(=O)(=O)CC3)nc2)C1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 3/20 0.39
▸ SLC6A9 P48067 6/20 0.35
▸ GRM1 Q13255 4/20 0.35
▸ OPRM1 P35372 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ F2R P25116 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ LCAT P04180 1/20 0.32
▸ DGAT2 Q96PD7 1/20 0.32
▸ WNT3A P56704 1/20 0.32
▸ PANK3 Q9H999 1/20 0.32
▸ ACACB O00763 1/20 0.32

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
SCHEMBL30553200 1.00 ADRA1A (0.39) ADRA1ASLC6A9GRM1OPRM1OPRL1
SCHEMBL25324741 0.88 GRM1 (0.39) GRM1DGAT2ACACB
SCHEMBL25323363 0.86 GRM1 (0.33) GRM1LCATDGAT2PANK3ACACB
SCHEMBL25324449 0.85 AVPR2 (0.34) GRM1LCATDGAT2ACACB
SCHEMBL30553268 0.85 AVPR2 (0.34) GRM1LCATDGAT2ACACB
SCHEMBL30553302 0.84 GRM1 (0.36) ADRA1AGRM1DGAT2
SCHEMBL25325627 0.84 GRM1 (0.36) ADRA1AGRM1DGAT2
SCHEMBL30553216 0.84 ACACB (0.35) GRM1LCATACACB
SCHEMBL25325260 0.84 ACACB (0.35) GRM1LCATACACB
SCHEMBL25325885 0.83 LCAT (0.36) GRM1LCATDGAT2ACACB

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 3 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
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 ADRA1A 380/4885SLC6A9 2552/4885GRM1 775/4885

“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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