SCHEMBL19631683

SCHEMBL19631683

CCC1(N2CCN(CCc3cccc(F)c3)CC2)CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.54
OPRM1 P35372 8/20 0.48
SIGMAR1 Q99720 6/20 0.48
KCNH2 Q12809 3/20 0.48
DRD2 P14416 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR2A P28223 1/20 0.42
GRM2 Q14416 1/20 0.41
OPRD1 P41143 3/20 0.41

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
SCHEMBL19631604 0.87 SLC6A3 (0.58) SLC6A3OPRM1SIGMAR1KCNH2DRD2
SCHEMBL19631759 0.86 SLC6A3 (0.49) SLC6A3OPRM1SIGMAR1KCNH2DRD2
SCHEMBL19631689 0.85 SIGMAR1 (0.52) SLC6A3OPRM1SIGMAR1KCNH2DRD2
SCHEMBL19631713 0.83 KCNH2 (0.50) OPRM1SIGMAR1KCNH2DRD2
SCHEMBL19631684 0.81 OPRM1 (0.48) OPRM1SIGMAR1KCNH2DRD2HTR2A
SCHEMBL19631681 0.79 OPRM1 (0.48) OPRM1SIGMAR1KCNH2DRD2HTR2A
SCHEMBL19631785 0.79 OPRM1 (0.44) OPRM1SIGMAR1KCNH2DRD2
SCHEMBL19631680 0.79 SIGMAR1 (0.46) OPRM1SIGMAR1KCNH2HTR2AGRM2
SCHEMBL19631797 0.78 TDP1 (0.50) OPRM1SIGMAR1KCNH2
SCHEMBL19631752 0.75 OPRM1 (0.49) OPRM1SIGMAR1KCNH2DRD2

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 SLC6A3 623/4885OPRM1 4/4885SIGMAR1 2/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 SLC6A3 623/4885OPRM1 4/4885SIGMAR1 2/4885

“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.