SCHEMBL19631808

SCHEMBL19631808

CC(C)OCCN1CCN([C@]2(C(=O)c3ccccn3)CCO[C@@H](C)C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
GRM4 Q14833 2/20 0.37
PRCP P42785 4/20 0.36
TP53 P04637 1/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
DRD2 P14416 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA1A P35348 1/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 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
SCHEMBL21221812 1.00 OPRM1 (0.38) OPRM1SIGMAR1GRM4PRCPTP53
SCHEMBL22169600 1.00 OPRM1 (0.38) OPRM1SIGMAR1GRM4PRCPTP53
SCHEMBL19631760 1.00 OPRM1 (0.38) OPRM1SIGMAR1GRM4PRCPTP53
SCHEMBL21221669 1.00 OPRM1 (0.38) OPRM1SIGMAR1GRM4PRCPTP53
SCHEMBL19631737 0.88 PRCP (0.36) PRCPDRD2HTR1A
SCHEMBL22169569 0.88 PRCP (0.36) PRCPDRD2HTR1A
SCHEMBL19631882 0.88 PRCP (0.36) PRCPDRD2HTR1A
SCHEMBL22169583 0.88 PRCP (0.36) PRCPDRD2HTR1A
SCHEMBL19631726 0.88 PRCP (0.36) PRCPDRD2HTR1A
SCHEMBL19631825 0.88 PRCP (0.36) PRCPDRD2HTR1A

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-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
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 2/4885GRM4 82/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 OPRM1 4/4885SIGMAR1 2/4885GRM4 82/4885

“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.