SCHEMBL22367407

SCHEMBL22367407

Cc1cc(OC(CCN(C)C(=O)OCC[Si](C)(C)C)c2cccs2)ccc1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 8/20 0.36
▸ RAB9A P51151 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SLC7A5 Q01650 1/20 0.32
▸ SLC6A2 P23975 3/20 0.31
▸ GAA P10253 1/20 0.31
▸ SLC6A9 P48067 2/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ TP53 P04637 1/20 0.31

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
SCHEMBL22367406 1.00 CACNA2D1 (0.36) CACNA2D1RAB9AKDM4EMEN1NPC1
SCHEMBL29967199 0.92 CACNA2D1 (0.37) CACNA2D1RAB9AKDM4EMEN1NPC1
SCHEMBL29967108 0.88 CACNA2D1 (0.36) CACNA2D1SLC7A5SLC6A2SLC6A4
SCHEMBL29967269 0.87 CACNA2D1 (0.35) CACNA2D1LMNASLC7A5SLC6A2GAA
SCHEMBL22367298 0.84 GBA1 (0.39) CACNA2D1SLC7A5SLC6A2SLC6A9
SCHEMBL22367300 0.84 GBA1 (0.39) CACNA2D1SLC7A5SLC6A2SLC6A9
SCHEMBL21945933 0.83 CACNA2D1 (0.38) CACNA2D1SLC6A2
SCHEMBL22367327 0.83 ALDH1A1 (0.38) CACNA2D1KDM4EALDH1A1LMNAKMT2A
SCHEMBL29967278 0.81 CACNA2D1 (0.41) CACNA2D1ALDH1A1SLC7A5SLC6A2SLC6A9
SCHEMBL20599833 0.81 CACNA2D1 (0.41) CACNA2D1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3700890-B1 ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS SA (ES) 2021-11-17 — — EP disclosed
US-20200299297-A1 NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-09-24 — — US disclosed
EP-3700890-A1 NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-09-02 — — 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-20200299297-A1 NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS CACNA1B, CACNB2, CACNA1G CACNA2D1 10/4885RAB9A 2019/4885KDM4E 2864/4885

“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.

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