SCHEMBL18458356

SCHEMBL18458356

CC1(C)CC(CN)(N2CCN(Cc3ccccc3)CC2)CCO1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.51
OPRM1 P35372 11/20 0.51
KCNH2 Q12809 5/20 0.51
MC4R P32245 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.40
GAA P10253 1/20 0.40
RAD52 P43351 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL19631818 0.89 SIGMAR1 (0.54) SIGMAR1OPRM1KCNH2MC4RLMNA
SCHEMBL19631775 0.89 SIGMAR1 (0.52) SIGMAR1OPRM1KCNH2MC4RLMNA
SCHEMBL18458950 0.84 SIGMAR1 (0.43) SIGMAR1OPRM1KCNH2MC4RCYP3A4
SCHEMBL19631774 0.83 SIGMAR1 (0.50) SIGMAR1OPRM1KCNH2MC4RLMNA
SCHEMBL18424267 0.82 SIGMAR1 (0.57) SIGMAR1OPRM1KCNH2MC4RLMNA
SCHEMBL18423198 0.80 SIGMAR1 (0.47) SIGMAR1OPRM1KCNH2MC4RLMNA
SCHEMBL18424692 0.80 SIGMAR1 (0.60) SIGMAR1OPRM1MC4RLMNAPOLB
SCHEMBL19631909 0.79 NPSR1 (0.45) SIGMAR1OPRM1KCNH2MC4RLMNA
SCHEMBL18458947 0.79 SIGMAR1 (0.47) SIGMAR1OPRM1KCNH2KMT2A
SCHEMBL19631686 0.78 MEN1 (0.44) SIGMAR1OPRM1KCNH2MC4RLMNA

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 4 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
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.