SCHEMBL20599332

SCHEMBL20599332

CCC(=O)N(CC1(N2CCN(CCc3ccccc3)CC2)COC1)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 0.81
SIGMAR1 Q99720 14/20 0.81
KCNH2 Q12809 5/20 0.81
OPRD1 P41143 4/20 0.52
OPRK1 P41145 3/20 0.52
SLC22A1 O15245 1/20 0.52
NR1I2 O75469 1/20 0.52
ABCB1 P08183 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD2 P14416 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
CHRM3 P20309 1/20 0.52
MAOA P21397 1/20 0.52
DRD4 P21917 1/20 0.52
MAOB P27338 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
ADRA1B P35368 1/20 0.52
DRD3 P35462 1/20 0.52

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
SCHEMBL18458666 0.90 OPRM1 (0.80) OPRM1SIGMAR1KCNH2OPRD1OPRK1
SCHEMBL20599294 0.90 SIGMAR1 (0.81) OPRM1SIGMAR1KCNH2
SCHEMBL18458728 0.89 SIGMAR1 (1.00) OPRM1SIGMAR1KCNH2
SCHEMBL18458730 0.88 OPRM1 (0.81) OPRM1SIGMAR1KCNH2OPRD1OPRK1
SCHEMBL18458766 0.88 OPRM1 (0.83) OPRM1SIGMAR1KCNH2OPRD1OPRK1
SCHEMBL18458398 0.81 OPRM1 (0.71) OPRM1SIGMAR1KCNH2
SCHEMBL18458760 0.80 OPRM1 (0.70) OPRM1SIGMAR1KCNH2OPRD1OPRK1
SCHEMBL18458663 0.79 SIGMAR1 (1.00) OPRM1SIGMAR1KCNH2
SCHEMBL18458285 0.79 SIGMAR1 (1.00) OPRM1SIGMAR1KCNH2
SCHEMBL18458753 0.78 SIGMAR1 (1.00) OPRM1SIGMAR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428051-B2 Substituted amide derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-10-01 US claimed
EP-3328853-B1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2019-09-11 EP claimed
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-01-03 US claimed
US-10428051-B2 Substituted amide derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-10-01 US disclosed
US-10428051-B2 Substituted amide derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-10-01 US disclosed
EP-3328853-B1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2019-09-11 EP disclosed
EP-3328853-B1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2019-09-11 EP disclosed
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-01-03 US disclosed
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-01-03 US 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-10428051-B2 Substituted amide derivatives having multimodal activity against pain OPRM1, OPRD1, OPRK1 OPRM1 1/4885SIGMAR1 5/4885KCNH2 1091/4885
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRM1, OPRD1, OPRK1 OPRM1 1/4885SIGMAR1 5/4885KCNH2 1091/4885

“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.