SCHEMBL25199269

SCHEMBL25199269

[CH2]C(O)COCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
PLA2G2C Q5R387 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
SCHEMBL2857817 0.79 MAPT (0.35)
SCHEMBL24824267 0.79 HTT (0.42) HTTPLA2G2C
SCHEMBL2856263 0.76 LMNA (0.38) HTT
SCHEMBL9872360 0.75 HSD17B10 (0.46) HTTPLA2G2C
SCHEMBL619720 0.74
SCHEMBL18609453 0.73 PLA2G2C (0.39) HTTPLA2G2C
SCHEMBL9873857 0.73 HTT (0.38) HTTPLA2G2C
SCHEMBL9873342 0.73 PLA2G2C (0.39) HTTPLA2G2C
SCHEMBL1372284 0.73 USP2 (0.41) HTTPLA2G2C
SCHEMBL2867187 0.72 LMNA (0.44) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4168409-A1 VMAT2 INHIBITORS AND METHODS OF USE Neurocrine Biosciences, Inc. (US) 2023-04-26 EP claimed
US-20240010647-A1 SUBSTITUTED PYRIDO[2,1-a]ISOQUINOLINES AS VMAT2 INHIBITORS NEUROCRINE BIOSCIENCES, INC. 2024-01-11 US disclosed
US-11718618-B2 Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors NEUROCRINE BIOSCIENCES, INC. (US) 2023-08-08 US disclosed
US-20230159528-A1 VMAT2 INHIBITORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-05-25 US disclosed
EP-4168409-A1 VMAT2 INHIBITORS AND METHODS OF USE Neurocrine Biosciences, Inc. (US) 2023-04-26 EP 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 (3 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-11718618-B2 Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors SLC18A2, SLC6A2, SLC18A1 HTT 822/4885PLA2G2C 2202/4885
US-20230159528-A1 VMAT2 INHIBITORS AND METHODS OF USE SLC18A2, SLC6A3, SLC6A2 HTT 216/4885PLA2G2C 3362/4885
US-20240010647-A1 SUBSTITUTED PYRIDO[2,1-a]ISOQUINOLINES AS VMAT2 INHIBITORS SLC18A2, SLC6A2, SLC18A1 HTT 822/4885PLA2G2C 2202/4885

“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.