SCHEMBL19631729

SCHEMBL19631729

C[C@H]1C[C@@](C(=O)c2ccccn2)(N2CCN(CCc3ccccc3F)CC2)CCO1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.41
OPRM1 P35372 6/20 0.41
KCNH2 Q12809 5/20 0.41
HTR2A P28223 4/20 0.40
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
HTR2C P28335 2/20 0.37
KDM5A P29375 1/20 0.35
KDM5B Q9UGL1 1/20 0.35

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
SCHEMBL19631850 0.87 OPRM1 (0.44) SIGMAR1OPRM1KCNH2HTR2A
SCHEMBL22169542 0.87 OPRM1 (0.44) SIGMAR1OPRM1KCNH2HTR2A
SCHEMBL19631730 0.87 OPRM1 (0.44) SIGMAR1OPRM1KCNH2HTR2A
SCHEMBL19631883 0.87 OPRM1 (0.44) SIGMAR1OPRM1KCNH2HTR2A
SCHEMBL19631737 0.83 PRCP (0.36) HTR2A
SCHEMBL22169569 0.83 PRCP (0.36) HTR2A
SCHEMBL19631825 0.83 PRCP (0.36) HTR2A
SCHEMBL22169583 0.83 PRCP (0.36) HTR2A
SCHEMBL19631726 0.83 PRCP (0.36) HTR2A
SCHEMBL19631882 0.83 PRCP (0.36) HTR2A

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 SIGMAR1 2/4885OPRM1 4/4885KCNH2 1972/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 SIGMAR1 2/4885OPRM1 4/4885KCNH2 1972/4885

“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.