SCHEMBL22367302

SCHEMBL22367302

CN(CC[C@H](Oc1ccc(CCl)c(F)c1)c1cccs1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 9/20 0.45
SLC6A2 P23975 2/20 0.41
SLC7A5 Q01650 1/20 0.41
SLC6A9 P48067 9/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36

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
SCHEMBL22367306 1.00 CACNA2D1 (0.45) CACNA2D1SLC6A2SLC7A5SLC6A9ALDH1A1
SCHEMBL22367335 0.89 CACNA2D1 (0.38) CACNA2D1SLC6A2SLC7A5SLC6A9
SCHEMBL22367340 0.89 CACNA2D1 (0.38) CACNA2D1SLC6A2SLC7A5SLC6A9
SCHEMBL19553104 0.86 CACNA2D1 (0.42) CACNA2D1SLC6A2SLC7A5SLC6A9
SCHEMBL19553106 0.86 CACNA2D1 (0.42) CACNA2D1SLC6A2SLC7A5SLC6A9
SCHEMBL22457002 0.85 CACNA2D1 (0.41) CACNA2D1SLC6A2SLC7A5SLC6A9ALDH1A1
SCHEMBL29967278 0.85 CACNA2D1 (0.41) CACNA2D1SLC6A2SLC7A5SLC6A9ALDH1A1
SCHEMBL22367423 0.82 CACNA2D1 (0.39) CACNA2D1SLC6A2SLC7A5CYP2D6CYP2C9
SCHEMBL22367427 0.82 CACNA2D1 (0.39) CACNA2D1SLC6A2SLC7A5CYP2D6CYP2C9
SCHEMBL19553331 0.81 SLC7A5 (0.41) CACNA2D1SLC6A2SLC7A5SLC6A9

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.