SCHEMBL18458574

SCHEMBL18458574

Fc1cncc(NCC2(N3CCN(Cc4ccccc4)CC3)CCOCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.45
OPRM1 P35372 6/20 0.45
KCNH2 Q12809 5/20 0.45
CACNA1G O43497 1/20 0.41
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FAAH O00519 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
PRKAA2 P54646 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ICMT O60725 1/20 0.36
CHRM4 P08173 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
SCHEMBL18458971 0.93 SIGMAR1 (0.44) SIGMAR1OPRM1KCNH2GAAL3MBTL1
SCHEMBL18458572 0.87 OPRM1 (0.46) SIGMAR1OPRM1KCNH2GAAFAAH
SCHEMBL18458956 0.86 ICMT (0.50) SIGMAR1OPRM1KCNH2CACNA1GGAA
SCHEMBL18458371 0.85 L3MBTL1 (0.55) SIGMAR1OPRM1KCNH2CACNA1GGAA
SCHEMBL18458369 0.84 OPRM1 (0.47) SIGMAR1OPRM1KCNH2SMN1; SMN2
SCHEMBL18425580 0.83 SIGMAR1 (0.54) SIGMAR1OPRM1KCNH2GAAL3MBTL1
SCHEMBL18458944 0.83 SIGMAR1 (0.49) SIGMAR1OPRM1KCNH2L3MBTL1DRD4
SCHEMBL18458576 0.82 SIGMAR1 (0.46) SIGMAR1OPRM1KCNH2CACNA1GGAA
SCHEMBL18458959 0.80 SIGMAR1 (0.48) SIGMAR1OPRM1KCNH2CACNA1GGAA
SCHEMBL18458324 0.78 SIGMAR1 (0.53) SIGMAR1OPRM1KCNH2GAAL3MBTL1

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 6 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 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
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
WO-2017016669-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-02-02 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-10428051-B2 Substituted amide derivatives having multimodal activity against pain OPRM1, OPRD1, OPRK1 SIGMAR1 5/4885OPRM1 1/4885KCNH2 1091/4885
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRM1, OPRD1, OPRK1 SIGMAR1 5/4885OPRM1 1/4885KCNH2 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.