SCHEMBL25164035

SCHEMBL25164035

O=C1N(c2cccc(C(F)(F)F)n2)CCC12CCN(c1cnc3cnn(CC(F)F)c3n1)C2

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 18/20 0.36
▸ HCRTR1 O43613 17/20 0.36
▸ OPRM1 P35372 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ PTPN11 Q06124 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
SCHEMBL30328602 1.00 HCRTR2 (0.36) HCRTR2HCRTR1OPRM1SIGMAR1PTPN11
SCHEMBL25164424 0.96 HCRTR2 (0.38) HCRTR2HCRTR1
SCHEMBL30327873 0.96 HCRTR2 (0.38) HCRTR2HCRTR1
SCHEMBL30327684 0.95 HCRTR2 (0.40) HCRTR2HCRTR1
SCHEMBL25164024 0.95 HCRTR2 (0.40) HCRTR2HCRTR1
SCHEMBL25164426 0.92 HCRTR2 (0.39) HCRTR2HCRTR1OPRM1
SCHEMBL30328559 0.92 HCRTR2 (0.39) HCRTR2HCRTR1OPRM1
SCHEMBL25164946 0.91 HCRTR2 (0.37) HCRTR2HCRTR1OPRM1SIGMAR1
SCHEMBL30328522 0.91 HCRTR2 (0.37) HCRTR2HCRTR1OPRM1SIGMAR1
SCHEMBL25164004 0.87 LIPE (0.35) HCRTR2HCRTR1OPRM1SIGMAR1

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-20250034170-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2025-01-30 — — US disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 — — WO disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 — — 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-20250034170-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 HCRTR2 2687/4885HCRTR1 2849/4885OPRM1 3075/4885

“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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