SCHEMBL27158591

SCHEMBL27158591

FC(F)(F)c1cccc(OCC2[C@H]3CNC[C@@H]23)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.41
▸ HTR2B P41595 3/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ RXRA P19793 1/20 0.37
▸ HCRTR2 O43614 6/20 0.37
▸ HCRTR1 O43613 5/20 0.37
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ HTR2A P28223 2/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ IDH1 O75874 1/20 0.33
▸ SCN7A Q01118 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ SCN9A Q15858 1/20 0.33

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
SCHEMBL27157901 1.00 HTR2C (0.41) HTR2CHTR2BSLC6A4RXRAHCRTR2
SCHEMBL27158587 1.00 HTR2C (0.41) HTR2CHTR2BSLC6A4RXRAHCRTR2
SCHEMBL30785441 1.00 HTR2C (0.41) HTR2CHTR2BSLC6A4RXRAHCRTR2
Hydrochloric Acid SCHEMBL27157860 0.99 HTR2C (0.40) HTR2CHTR2BSLC6A4RXRAHCRTR2
Hydrochloric Acid SCHEMBL27204278 0.99 HTR2C (0.40) HTR2CHTR2BSLC6A4RXRAHCRTR2
SCHEMBL8112751 0.77 LTA4H (0.45) HTR2CHTR2BSLC6A4RXRAHCRTR2
SCHEMBL27158488 0.77 HCRTR2 (0.41) RXRAHCRTR2HCRTR1GRIN1GRIN2B
SCHEMBL27204297 0.77 HCRTR2 (0.41) RXRAHCRTR2HCRTR1GRIN1GRIN2B
Hydrochloric Acid SCHEMBL27158231 0.77 KDM1A (0.48) SLC6A4KCNH2
SCHEMBL30785465 0.76 IKBKB (0.42) SLC6A4FEN1IDH1

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-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2024-08-08 — — US disclosed
EP-4329881-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-03-06 — — EP disclosed
WO-2022232383-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2022-11-03 — — 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-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 HTR2C 3289/4885HTR2B 2544/4885SLC6A4 2270/4885

“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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