SCHEMBL19631604

SCHEMBL19631604

CC1(N2CCN(CCc3cccc(F)c3)CC2)CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.58
DRD2 P14416 1/20 0.49
SLC6A4 P31645 1/20 0.49
SIGMAR1 Q99720 4/20 0.47
OPRM1 P35372 2/20 0.47
KCNH2 Q12809 2/20 0.47
HTR2A P28223 2/20 0.44
GRM2 Q14416 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2C P28335 1/20 0.41
HTR1F P30939 1/20 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
SCHEMBL19631683 0.87 SLC6A3 (0.54) SLC6A3DRD2SLC6A4SIGMAR1OPRM1
SCHEMBL19631682 0.84 DRD2 (0.54) SLC6A3DRD2SIGMAR1OPRM1HTR2A
SCHEMBL19631717 0.82 KCNH2 (0.56) DRD2SIGMAR1OPRM1KCNH2HRH3
SCHEMBL19631688 0.80 OPRM1 (0.47) DRD2SIGMAR1OPRM1KCNH2HTR2A
SCHEMBL19631759 0.78 SLC6A3 (0.49) SLC6A3DRD2SLC6A4SIGMAR1OPRM1
SCHEMBL19631711 0.78 OPRM1 (0.46) DRD2SIGMAR1OPRM1HRH3HTR1D
SCHEMBL19631603 0.78 SIGMAR1 (0.47) DRD2SIGMAR1OPRM1KCNH2HTR2A
SCHEMBL19631597 0.77 CYP2A13 (0.48) DRD2SIGMAR1OPRM1KCNH2HTR2A
SCHEMBL19631762 0.77 SLC6A3 (0.48) SLC6A3DRD2SLC6A4SIGMAR1OPRM1
SCHEMBL19631783 0.76 HRH3 (0.54) SIGMAR1OPRM1HRH3

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 623/4885DRD2 58/4885SLC6A4 535/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 SLC6A3 623/4885DRD2 58/4885SLC6A4 535/4885

“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.