SCHEMBL23927031

SCHEMBL23927031

CC(C)c1cc(Oc2ccc(-n3c(=O)[nH]c4cccnc43)cc2F)ccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 6/20 0.39
DRD1 P21728 2/20 0.38
BCAT2 O15382 2/20 0.36
BCAT1 P54687 2/20 0.36
AR P10275 3/20 0.36
PDE4B Q07343 2/20 0.36
PDE4D Q08499 2/20 0.36
CYP19A1 P11511 1/20 0.33
PGR P06401 1/20 0.33
NTRK1 P04629 2/20 0.33
NTRK3 Q16288 2/20 0.33
NTRK2 Q16620 2/20 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
SCHEMBL30079309 0.87 SLC22A12 (0.41) SLC22A12BCAT2BCAT1ARPGR
SCHEMBL23927013 0.87 SLC22A12 (0.41) SLC22A12BCAT2BCAT1ARPGR
SCHEMBL30079008 0.84 DRD1 (0.37) SLC22A12DRD1BCAT2BCAT1AR
SCHEMBL23927020 0.84 DRD1 (0.37) SLC22A12DRD1BCAT2BCAT1AR
SCHEMBL30615464 0.76 PDE4B (0.48) PDE4BPDE4DNTRK1NTRK2
SCHEMBL23927016 0.76 BCAT2 (0.35) SLC22A12BCAT2BCAT1ARPDE4B
SCHEMBL30079021 0.76 BCAT2 (0.35) SLC22A12BCAT2BCAT1ARPDE4B
SCHEMBL23926995 0.76 SLC22A12 (0.39) SLC22A12BCAT2BCAT1ARPDE4B
SCHEMBL30078965 0.76 SLC22A12 (0.39) SLC22A12BCAT2BCAT1ARPDE4B
SCHEMBL29180294 0.72 BCAT2 (0.39) SLC22A12DRD1BCAT2BCAT1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230124087-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US claimed
EP-4139306-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2023-03-01 EP claimed
CN-115380032-A KV3 enhancers for the treatment of cognitive disorders 豪夫迈·罗氏有限公司 2022-11-22 CN claimed
EP-3901152-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP claimed
US-20230124087-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
US-20230124087-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
EP-4139306-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2023-03-01 EP disclosed
CN-115380032-A KV3 enhancers for the treatment of cognitive disorders 豪夫迈·罗氏有限公司 2022-11-22 CN disclosed
WO-2021214090-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2021-10-28 WO disclosed
WO-2021214090-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2021-10-28 WO disclosed
EP-3901152-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
EP-3901152-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2021-10-27 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 (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-20230124087-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS KCNN3, KCNA4, KCNA3 SLC22A12 1933/4885DRD1 333/4885BCAT2 1872/4885

“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.