SCHEMBL19631805

SCHEMBL19631805

CCC1(N2CCN(CCc3ccccc3F)CC2)CCOC(C)(C)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.42
KCNH2 Q12809 8/20 0.42
OPRM1 P35372 6/20 0.42
HTR2A P28223 5/20 0.37
GRM2 Q14416 1/20 0.36
ICMT O60725 1/20 0.35
CYP2A13 Q16696 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
DRD2 P14416 3/20 0.34
HTR2C P28335 3/20 0.34
MAOB P27338 1/20 0.34
CACNA1G O43497 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
SCHEMBL19631953 0.92 SIGMAR1 (0.44) SIGMAR1KCNH2OPRM1HTR2AICMT
SCHEMBL19631999 0.87 OPRM1 (0.44) SIGMAR1KCNH2OPRM1HTR2ADRD2
SCHEMBL19631581 0.85 OPRM1 (0.35) SIGMAR1KCNH2OPRM1
SCHEMBL19631680 0.85 SIGMAR1 (0.46) SIGMAR1KCNH2OPRM1HTR2AGRM2
SCHEMBL19631708 0.84 SIGMAR1 (0.45) SIGMAR1KCNH2OPRM1DRD2
SCHEMBL19631716 0.84 SIGMAR1 (0.45) SIGMAR1KCNH2OPRM1DRD2
SCHEMBL19631654 0.84 SIGMAR1 (0.45) SIGMAR1KCNH2OPRM1DRD2
SCHEMBL19631886 0.82 KCNH2 (0.40) SIGMAR1KCNH2OPRM1HTR2AGRM2
SCHEMBL19631759 0.81 SLC6A3 (0.49) SIGMAR1KCNH2OPRM1HTR2AGRM2
SCHEMBL19631724 0.80 OPRM1 (0.44) SIGMAR1KCNH2OPRM1

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 10 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-20190241544-A1 TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-08-08 US 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 SIGMAR1 2/4885KCNH2 1972/4885OPRM1 4/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 SIGMAR1 2/4885KCNH2 1972/4885OPRM1 4/4885

“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.