SCHEMBL25164372

SCHEMBL25164372

O=C1N(c2cc(C(F)(F)F)ccn2)CCC12CCCN(c1cnc3cnn(CC(F)F)c3n1)C2

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 17/20 0.41
▸ HCRTR1 O43613 13/20 0.41
▸ EIF2AK4 Q9P2K8 2/20 0.35
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 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
SCHEMBL30328300 1.00 HCRTR2 (0.41) HCRTR2HCRTR1EIF2AK4CYP1A2CYP3A4
SCHEMBL25163834 0.91 HCRTR2 (0.43) HCRTR2HCRTR1
SCHEMBL30327812 0.91 HCRTR2 (0.43) HCRTR2HCRTR1
SCHEMBL30328520 0.88 HCRTR2 (0.41) HCRTR2HCRTR1
SCHEMBL25164376 0.88 HCRTR2 (0.41) HCRTR2HCRTR1
SCHEMBL25164369 0.85 CYP3A4 (0.36) HCRTR2HCRTR1EIF2AK4CYP1A2CYP3A4
SCHEMBL30328371 0.85 CYP3A4 (0.36) HCRTR2HCRTR1EIF2AK4CYP1A2CYP3A4
SCHEMBL25164424 0.85 HCRTR2 (0.38) HCRTR2HCRTR1
SCHEMBL30327873 0.85 HCRTR2 (0.38) HCRTR2HCRTR1
SCHEMBL25163861 0.85 HCRTR2 (0.40) HCRTR2HCRTR1CYP1A2

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 2849/4885EIF2AK4 810/4885

“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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