SCHEMBL25325136

SCHEMBL25325136

O=C(N1CC2(CCN(c3ncc(Cl)cc3F)CC2)C1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 2/20 0.35
▸ OXTR P30559 7/20 0.34
▸ GRM4 Q14833 1/20 0.33
▸ AVPR1A P37288 1/20 0.33
▸ AVPR2 P30518 3/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ CHRM4 P08173 1/20 0.32
▸ ITGB3 P05106 2/20 0.32
▸ ITGA2B P08514 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2D6 P10635 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
SCHEMBL30553204 1.00 SPR (0.35) SPROXTRGRM4AVPR1AAVPR2
SCHEMBL25918244 0.94 SPR (0.36) SPRGRM4FFAR4JAK2JAK1
SCHEMBL25324915 0.84 AVPR1A (0.39) OXTRAVPR1AAVPR2FFAR4
SCHEMBL25326428 0.80 LCAT (0.39) —
SCHEMBL25325289 0.79 OPRL1 (0.40) SPRAVPR1ACHRM4
SCHEMBL25327609 0.78 SPR (0.44) SPRGRM4FFAR4ALDH1A1CYP1A2
SCHEMBL30700409 0.77 JAK2 (0.38) SPRGRM4FFAR4JAK2JAK1
SCHEMBL25918282 0.76 ITGB3 (0.33) ITGB3ITGA2BCYP3A4TSHR
SCHEMBL25324615 0.75 ENPP2 (0.39) OXTRAVPR1AAVPR2FFAR4
SCHEMBL25325473 0.74 TRPA1 (0.38) AVPR1AAVPR2

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 SPR 1574/4885OXTR 75/4885GRM4 622/4885

“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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