SCHEMBL25689519

SCHEMBL25689519

C[C@H]1C[C@H](O)[C@@H](OI)CN1C[C@H]1CCCN(c2cccc(C(F)(F)F)n2)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 14/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ DRD2 P14416 3/20 0.36
▸ DRD3 P35462 3/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36

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
SCHEMBL22668743 0.84 DRD2 (0.40) ACACBFFAR1DRD2DRD3HRH3
SCHEMBL22657530 0.81 ACACB (0.40) ACACBDRD2DRD3GRIN2B
SCHEMBL22668978 0.81 ACACB (0.40) ACACBDRD2DRD3GRIN2B
SCHEMBL22657533 0.81 ACACB (0.40) ACACBDRD2DRD3GRIN2B
SCHEMBL29447824 0.81 ACACB (0.40) ACACBDRD2DRD3GRIN2B
SCHEMBL29447821 0.81 ACACB (0.40) ACACBDRD2DRD3GRIN2B
SCHEMBL23996734 0.78 ACACB (0.41) ACACBGRIN2B
SCHEMBL23996792 0.78 ACACB (0.41) ACACBGRIN2B
SCHEMBL23996555 0.78 ACACB (0.41) ACACBGRIN2B
SCHEMBL23996756 0.78 ACACB (0.41) ACACBGRIN2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174486-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2023-06-08 — — US 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-20230174486-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF GBA1, GBA2, GAA ACACB 595/4885FFAR1 1846/4885DRD2 4640/4885

“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.

Send feedback