SCHEMBL2425752

SCHEMBL2425752

FC(F)(F)c1cc(Br)c2[nH]nnc2c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 1/20 0.33
GRM2 Q14416 1/20 0.33
RIPK1 Q13546 1/20 0.31
PKM P14618 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
SCHEMBL203331 0.80 CACNA1H (0.34) PKM
SCHEMBL202917 0.79 GABRA2 (0.36) GABRB3
SCHEMBL13318841 0.79 PTPN5 (0.36) PKM
SCHEMBL2426912 0.75 ALDH1A1 (0.31)
SCHEMBL3727596 0.72 ALDH1A1 (0.50)
SCHEMBL24500838 0.72 XDH (0.36)
SCHEMBL2298425 0.71 PARP1 (0.45) GABRB3RIPK1
SCHEMBL3394106 0.71 RIPK1 (0.43) GABRB3GRM2RIPK1
SCHEMBL31436444 0.71 HCAR1 (0.31)
SCHEMBL16872502 0.69 CACNA1H (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021026375-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF PAIN ALKERMES, INC. (US) 2021-02-11 WO disclosed
US-8026257-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-27 US disclosed
US-8026257-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-27 US disclosed
US-8026257-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-27 US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
WO-2009009411-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 WO disclosed
WO-2009009411-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 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-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders CNR1, CNR2, PMP22 GABRB3 158/4885GRM2 125/4885RIPK1 4816/4885

“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.