SCHEMBL18458576

SCHEMBL18458576

Fc1ccc(NCC2(N3CCN(Cc4ccccc4)CC3)CCOCC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.46
OPRM1 P35372 4/20 0.46
KCNH2 Q12809 3/20 0.46
CACNA1G O43497 1/20 0.43
ACHE P22303 1/20 0.41
PRKAA2 P54646 3/20 0.41
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.40
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
CNR2 P34972 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL18458727 0.92 ACHE (0.44) SIGMAR1OPRM1KCNH2ACHEPRKAA2
SCHEMBL18458573 0.87 HIF1A (0.52) SIGMAR1OPRM1KCNH2ACHEGAA
SCHEMBL18458957 0.86 SIGMAR1 (0.48) SIGMAR1OPRM1KCNH2ALDH1A1DRD2
SCHEMBL18458371 0.86 L3MBTL1 (0.55) SIGMAR1OPRM1KCNH2CACNA1GACHE
SCHEMBL18458574 0.82 SIGMAR1 (0.45) SIGMAR1OPRM1KCNH2CACNA1GPRKAA2
SCHEMBL18425580 0.82 SIGMAR1 (0.54) SIGMAR1OPRM1KCNH2GAAL3MBTL1
SCHEMBL18458956 0.81 ICMT (0.50) SIGMAR1OPRM1KCNH2CACNA1GGAA
SCHEMBL18458578 0.81 SIGMAR1 (0.50) SIGMAR1OPRM1KCNH2GAAL3MBTL1
SCHEMBL18458531 0.81 OPRM1 (0.42) SIGMAR1OPRM1KCNH2CACNA1GACHE
SCHEMBL18458959 0.81 SIGMAR1 (0.48) SIGMAR1OPRM1KCNH2CACNA1GGAA

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.