SCHEMBL22367305

SCHEMBL22367305

CNC(=O)OCCC(Oc1ccc(CCl)c(F)c1)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 14/20 0.49
SLC6A2 P23975 9/20 0.44
SLC7A5 Q01650 1/20 0.41
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37

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
SCHEMBL22367338 0.90 CACNA2D1 (0.42) CACNA2D1SLC6A2SLC7A5
SCHEMBL19553109 0.87 CACNA2D1 (0.46) CACNA2D1SLC6A2SLC7A5
SCHEMBL23778817 0.84 SLC6A4 (0.51) CACNA2D1SLC6A2SLC7A5SLC6A4SLC6A3
SCHEMBL22367424 0.83 CACNA2D1 (0.43) CACNA2D1SLC6A2SLC6A4SLC6A3
SCHEMBL19553335 0.81 CACNA2D1 (0.44) CACNA2D1SLC6A2SLC7A5SLC6A4SLC6A3
SCHEMBL20970809 0.80 CACNA2D1 (0.41) CACNA2D1SLC6A2SLC7A5SLC6A4SLC6A3
SCHEMBL22367302 0.79 CACNA2D1 (0.45) CACNA2D1SLC6A2SLC7A5
SCHEMBL22367306 0.79 CACNA2D1 (0.45) CACNA2D1SLC6A2SLC7A5
SCHEMBL20600180 0.79 CACNA2D1 (0.44) CACNA2D1SLC6A2SLC6A4SLC6A3
SCHEMBL19553665 0.79 CACNA2D1 (0.46) CACNA2D1SLC6A2SLC6A4SLC6A3

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 10/4885SLC6A2 28/4885SLC7A5 400/4885

“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.