SCHEMBL18458376

SCHEMBL18458376

CC1(C)CC(CNc2ncccc2C#N)(N2CCN(Cc3ccccc3)CC2)CCO1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.43
SIGMAR1 Q99720 5/20 0.43
KCNH2 Q12809 2/20 0.43
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
ACHE P22303 5/20 0.36
BCHE P06276 2/20 0.34
ICMT O60725 1/20 0.34
ABCC1 P33527 1/20 0.34
MAOB P27338 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL18458287 0.87 OPRM1 (0.43) OPRM1SIGMAR1KCNH2ACHEBCHE
SCHEMBL18458945 0.87 OPRM1 (0.46) OPRM1SIGMAR1KCNH2ICMT
SCHEMBL18458372 0.86 OPRM1 (0.43) OPRM1SIGMAR1ACHEBCHEABCC1
SCHEMBL18458943 0.84 SIGMAR1 (0.50) OPRM1SIGMAR1KCNH2ALDH1A1ACHE
SCHEMBL18426961 0.84 OPRM1 (0.44) OPRM1SIGMAR1KCNH2ALDH1A1ACHE
SCHEMBL18458947 0.83 SIGMAR1 (0.47) OPRM1SIGMAR1KCNH2
SCHEMBL18458529 0.80 OPRM1 (0.47) OPRM1SIGMAR1KCNH2ALDH1A1HPGD
SCHEMBL18458025 0.78 SIGMAR1 (0.62) OPRM1SIGMAR1KCNH2
SCHEMBL20598758 0.77 ALDH1A1 (0.40) OPRM1SIGMAR1KCNH2ALDH1A1HPGD
SCHEMBL19631775 0.75 SIGMAR1 (0.52) OPRM1SIGMAR1KCNH2LMNA

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 7 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
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 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.