SCHEMBL23927002

SCHEMBL23927002

CC(C)(C)c1cc(C#N)ccc1Oc1ccc(-n2c(=O)[nH]c3cc(F)cnc32)cn1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.33
OXTR P30559 2/20 0.33
PIK3CA P42336 2/20 0.32
MTOR P42345 2/20 0.32
TDP2 O95551 1/20 0.32
MMP13 P45452 2/20 0.32
PGR P06401 1/20 0.31
AVPR1A P37288 1/20 0.31
BCAT2 O15382 1/20 0.30
BCAT1 P54687 1/20 0.30
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
GPBAR1 Q8TDU6 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
SCHEMBL30079245 1.00 PDE4B (0.33) PDE4BOXTRPIK3CAMTORTDP2
SCHEMBL30078942 0.88 GABRP (0.35) OXTRPIK3CAMTORMMP13AVPR1A
SCHEMBL30078878 0.88 TNKS2 (0.33) PDE4BOXTRPIK3CAMTORMMP13
SCHEMBL23926957 0.88 TNKS2 (0.33) PDE4BOXTRPIK3CAMTORMMP13
SCHEMBL23927089 0.88 GABRP (0.35) OXTRPIK3CAMTORMMP13AVPR1A
SCHEMBL23926979 0.84 TNKS2 (0.36) PIK3CAMTORTDP2MMP13PGR
SCHEMBL30079319 0.84 TNKS2 (0.36) PIK3CAMTORTDP2MMP13PGR
SCHEMBL23927022 0.82 TNKS2 (0.37) OXTRPIK3CAMTORTDP2MMP13
SCHEMBL30079451 0.82 TNKS2 (0.37) OXTRPIK3CAMTORTDP2MMP13
SCHEMBL23926991 0.81 CSNK1A1 (0.36) BCAT2BCAT1

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 10 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
WO-2021214090-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2021-10-28 WO 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
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
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 PDE4B 442/4885OXTR 500/4885PIK3CA 2780/4885

“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.