SCHEMBL20917068

SCHEMBL20917068

CN(CCC(OCc1cccc(NC(=O)c2ccccc2)c1)c1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.49
SLC1A2 P43004 4/20 0.48
SLC1A1 P43005 4/20 0.48
SLC1A3 P43003 3/20 0.47
CASR P41180 1/20 0.46
KCNK3 O14649 2/20 0.45
KMT2A Q03164 1/20 0.45
NR1H4 Q96RI1 3/20 0.44
KCNK9 Q9NPC2 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 2/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL30438293 0.89 AURKA (0.46) PTGESSLC1A2SLC1A1SLC1A3CASR
SCHEMBL20917274 0.87 SLC1A2 (0.40) SLC1A2SLC1A1CASRMAPT
SCHEMBL20917133 0.85 FFAR1 (0.41) CASR
SCHEMBL20917044 0.84 CACNA2D1 (0.51) PTGESSLC1A2SLC1A1SLC1A3KCNK3
SCHEMBL20917284 0.82 OPRK1 (0.42) KMT2A
SCHEMBL28415368 0.82 SLC1A2 (0.54) PTGESSLC1A2SLC1A1SLC1A3KCNK3
SCHEMBL20917069 0.81 SLC1A2 (0.48) PTGESSLC1A2SLC1A1SLC1A3KCNK3
SCHEMBL19553553 0.81 PTGES (0.43) PTGESKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL19553555 0.81 PTGES (0.43) PTGESKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL20917273 0.79 SLC1A2 (0.48) PTGESSLC1A2SLC1A1SLC1A3KCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3697754-A1 PROPANAMINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-08-26 EP 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 PTGES 733/4885SLC1A2 112/4885SLC1A1 169/4885
US-11111220-B2 Propanamine derivatives for treating pain and pain related conditions CACNA1G, CACNA1B, CACNA1I PTGES 733/4885SLC1A2 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.