SCHEMBL19631941

SCHEMBL19631941

CCOCCN1CCN(C2(C(=O)c3ccccn3)CCOC(C)(C)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
DRD2 P14416 1/20 0.37
GAA P10253 1/20 0.37
HRH3 Q9Y5N1 3/20 0.37
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
DRD3 P35462 1/20 0.36
GRM4 Q14833 1/20 0.36
KCNH2 Q12809 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
SCHEMBL19632060 0.90 HTR1A (0.40) OPRM1SIGMAR1DRD2GAAHTR1A
SCHEMBL19631704 0.90 OPRM1 (0.40) OPRM1SIGMAR1HRH2HRH1DRD2
SCHEMBL19631942 0.90 OPRM1 (0.37) OPRM1SIGMAR1HRH2HRH1DRD2
SCHEMBL19631677 0.90 OPRM1 (0.40) OPRM1SIGMAR1HRH2HRH1DRD2
SCHEMBL19631848 0.90 OPRM1 (0.40) OPRM1SIGMAR1HRH2HRH1DRD2
SCHEMBL19632061 0.89 OPRM1 (0.43) OPRM1SIGMAR1HRH2HRH1DRD2
SCHEMBL19631946 0.88 OPRM1 (0.38) OPRM1SIGMAR1HRH2HRH1DRD2
SCHEMBL19631776 0.88 OPRM1 (0.39) OPRM1SIGMAR1HRH2HRH1DRD2
SCHEMBL19631779 0.88 OPRM1 (0.39) OPRM1SIGMAR1HRH2HRH1DRD2
SCHEMBL19631794 0.88 OPRM1 (0.39) OPRM1SIGMAR1HRH2HRH1DRD2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-10-20 US claimed
EP-3458450-B1 TETRAHYDROPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2020-07-01 EP claimed
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-10-20 US disclosed
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-10-20 US disclosed
EP-3458450-B1 TETRAHYDROPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2020-07-01 EP disclosed
EP-3458450-B1 TETRAHYDROPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2020-07-01 EP disclosed
US-20190241544-A1 TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-08-08 US disclosed
US-20190241544-A1 TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-08-08 US disclosed
WO-2017198339-A1 TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-11-23 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-20190241544-A1 TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, SIGMAR1, OPRK1 OPRM1 4/4885SIGMAR1 2/4885HRH2 962/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 OPRM1 4/4885SIGMAR1 2/4885HRH2 962/4885

“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.