SCHEMBL18458294

SCHEMBL18458294

CCOC(=O)C1(N2CCN(CCc3ccccc3)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.58
OPRM1 P35372 6/20 0.51
OPRD1 P41143 3/20 0.51
OPRK1 P41145 3/20 0.51
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL16102788 0.87 CYP3A4 (0.60) OPRM1OPRD1OPRK1LMNAALDH1A1
SCHEMBL18458736 0.85 MEN1 (0.56) LMNA
SCHEMBL8970760 0.82 KCNA3 (0.63) KCNA3OPRM1OPRD1OPRK1LMNA
SCHEMBL3724596 0.82 OPRM1 (0.50) OPRM1OPRD1OPRK1ALDH1A1
Pheneridine SCHEMBL1922392 0.80 KCNA3 (0.86) KCNA3OPRM1OPRD1OPRK1
SCHEMBL20599253 0.80 KCNH2 (0.50) OPRM1
SCHEMBL21337310 0.79 MEN1 (0.52) OPRM1OPRD1OPRK1
SCHEMBL3719268 0.79 TSHR (0.46) ALDH1A1
SCHEMBL11565095 0.77 CA12 (0.59) KCNA3OPRM1OPRD1OPRK1LMNA
SCHEMBL10898506 0.76 KCNH2 (0.71) LMNA

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 5 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
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
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 KCNA3 335/4885OPRM1 1/4885OPRD1 2/4885
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRM1, OPRD1, OPRK1 KCNA3 335/4885OPRM1 1/4885OPRD1 2/4885

“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.