SCHEMBL25164599

SCHEMBL25164599

O=C1CC2(CCN(c3cnc4cnn(CC(F)F)c4n3)CC2)CN1Cc1cccc(C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 13/20 0.36
▸ HCRTR1 O43613 10/20 0.36
▸ WEE1 P30291 2/20 0.31
▸ TEC P42680 1/20 0.31
▸ TXK P42681 1/20 0.31
▸ BMX P51813 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ LTC4S Q16873 1/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30

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
SCHEMBL30328204 1.00 HCRTR2 (0.36) HCRTR2HCRTR1WEE1TECTXK
SCHEMBL25165014 0.89 HCRTR2 (0.33) HCRTR2HCRTR1CYP11B1CYP11B2
SCHEMBL30329562 0.89 HCRTR2 (0.33) HCRTR2HCRTR1CYP11B1CYP11B2
SCHEMBL30329510 0.88 GRM2 (0.35) HCRTR2HCRTR1GRIN1GRIN2BCYP11B1
SCHEMBL25163723 0.88 GRM2 (0.35) HCRTR2HCRTR1GRIN1GRIN2BCYP11B1
SCHEMBL25164318 0.88 HCRTR2 (0.38) HCRTR2HCRTR1KCNH2CYP11B1CYP11B2
SCHEMBL30328668 0.88 HCRTR2 (0.38) HCRTR2HCRTR1KCNH2CYP11B1CYP11B2
SCHEMBL25164484 0.87 HCRTR2 (0.33) HCRTR2HCRTR1TECTXKBMX
SCHEMBL30328464 0.87 HCRTR2 (0.33) HCRTR2HCRTR1TECTXKBMX
SCHEMBL25164406 0.87 HCRTR2 (0.38) HCRTR2HCRTR1GRIN1GRIN2BKCNH2

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 2849/4885WEE1 4107/4885

“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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