SCHEMBL20917092

SCHEMBL20917092

CNCCC(OCc1cccc(Nc2ccccc2)c1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 17/20 0.56
SLC6A2 P23975 5/20 0.56
SLC6A4 P31645 3/20 0.49

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
SCHEMBL30438575 1.00 CACNA2D1 (0.56) CACNA2D1SLC6A2SLC6A4
SCHEMBL20917052 0.88 CACNA2D1 (0.52) CACNA2D1SLC6A2
SCHEMBL20917094 0.88 CACNA2D1 (0.54) CACNA2D1SLC6A2SLC6A4
SCHEMBL20917276 0.83 CACNA2D1 (0.43) CACNA2D1SLC6A2
SCHEMBL20917044 0.83 CACNA2D1 (0.51) CACNA2D1SLC6A2
SCHEMBL20917287 0.81 CACNA2D1 (0.50) CACNA2D1SLC6A2
SCHEMBL30438197 0.81 CACNA2D1 (0.50) CACNA2D1SLC6A2
SCHEMBL28420817 0.80 IDO1 (0.42) CACNA2D1SLC6A2
SCHEMBL20917274 0.79 SLC1A2 (0.40) CACNA2D1SLC6A2
SCHEMBL20917140 0.79 CACNA2D1 (0.50) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111225901-B Propylamine derivatives for the treatment of pain and pain-related disorders 埃斯特韦制药股份公司 2023-07-04 CN claimed
US-11111220-B2 Propanamine derivatives for treating pain and pain related conditions ESTEVE PHARMACEUTICALS, S.A. (ES) 2021-09-07 US claimed
US-20200377464-A1 PROPANAMINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-12-03 US claimed
EP-3697754-A1 PROPANAMINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-08-26 EP claimed
CN-111225901-A Propylamine derivatives useful in the treatment of pain and pain-associated conditions 埃斯特韦制药股份公司 2020-06-02 CN claimed
WO-2019076904-A1 PROPANAMINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-04-25 WO claimed
CN-111225901-B Propylamine derivatives for the treatment of pain and pain-related disorders 埃斯特韦制药股份公司 2023-07-04 CN disclosed
US-11111220-B2 Propanamine derivatives for treating pain and pain related conditions ESTEVE PHARMACEUTICALS, S.A. (ES) 2021-09-07 US disclosed
US-11111220-B2 Propanamine derivatives for treating pain and pain related conditions ESTEVE PHARMACEUTICALS, S.A. (ES) 2021-09-07 US disclosed
US-20200377464-A1 PROPANAMINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-12-03 US disclosed
US-20200377464-A1 PROPANAMINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-12-03 US disclosed
EP-3697754-A1 PROPANAMINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-08-26 EP disclosed
CN-111225901-A Propylamine derivatives useful in the treatment of pain and pain-associated conditions 埃斯特韦制药股份公司 2020-06-02 CN disclosed
WO-2019076904-A1 PROPANAMINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-04-25 WO disclosed
WO-2019076904-A1 PROPANAMINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-04-25 WO 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 (2 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-20200377464-A1 PROPANAMINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS CACNA1G, CACNA1B, CACNA1I CACNA2D1 19/4885SLC6A2 39/4885SLC6A4 173/4885
US-11111220-B2 Propanamine derivatives for treating pain and pain related conditions CACNA1G, CACNA1B, CACNA1I CACNA2D1 19/4885SLC6A2 39/4885SLC6A4 173/4885

“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.