SCHEMBL20917044

SCHEMBL20917044

CNCCC(OCc1cccc(NC(=O)c2ccccc2)c1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 9/20 0.51
SLC1A2 P43004 3/20 0.51
SLC1A1 P43005 3/20 0.51
SLC6A2 P23975 4/20 0.50
SLC1A3 P43003 2/20 0.49
PAX8 Q06710 1/20 0.47
KMT2A Q03164 1/20 0.47
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
PTGES O14684 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46

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
SCHEMBL20917077 0.90 KCNK3 (0.54) CACNA2D1KMT2AKCNK3RAB9AHTT
SCHEMBL20917105 0.90 CACNA2D1 (0.49) CACNA2D1SLC1A2SLC1A1SLC6A2SIRT2
SCHEMBL20917135 0.88 CACNA2D1 (0.51) CACNA2D1SLC1A2SLC1A1SLC6A2SLC1A3
SCHEMBL30438589 0.88 CACNA2D1 (0.51) CACNA2D1SLC1A2SLC1A1SLC6A2SLC1A3
SCHEMBL20917140 0.87 CACNA2D1 (0.50) CACNA2D1SLC6A2KCNK3KCNK9SIRT2
SCHEMBL20917088 0.87 CACNA2D1 (0.52) CACNA2D1SLC6A2
SCHEMBL20917290 0.86 CACNA2D1 (0.52) CACNA2D1SLC1A2SLC1A1SLC6A2SLC1A3
SCHEMBL20917069 0.85 SLC1A2 (0.48) SLC1A2SLC1A1SLC1A3PAX8KMT2A
SCHEMBL20917068 0.84 PTGES (0.49) SLC1A2SLC1A1SLC1A3KMT2AKCNK3
SCHEMBL28415368 0.84 SLC1A2 (0.54) SLC1A2SLC1A1SLC1A3KMT2AKCNK3

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 19/4885SLC1A2 112/4885SLC1A1 169/4885
US-11111220-B2 Propanamine derivatives for treating pain and pain related conditions CACNA1G, CACNA1B, CACNA1I CACNA2D1 19/4885SLC1A2 112/4885SLC1A1 169/4885

“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.