SCHEMBL19631708

SCHEMBL19631708

CCC1(N2CCN(CCc3ccccc3)CC2)CCOC(C)(C)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.45
OPRM1 P35372 3/20 0.45
KCNH2 Q12809 1/20 0.45
HTR7 P34969 1/20 0.42
SLC6A3 Q01959 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
DRD1 P21728 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
MAPT P10636 2/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL19631716 1.00 SIGMAR1 (0.45) SIGMAR1OPRM1KCNH2HTR7SLC6A3
SCHEMBL19631654 1.00 SIGMAR1 (0.45) SIGMAR1OPRM1KCNH2HTR7SLC6A3
SCHEMBL19631707 0.91 SIGMAR1 (0.43) SIGMAR1OPRM1KCNH2SLC6A3LMNA
SCHEMBL19631936 0.89 TDP1 (0.46) SIGMAR1OPRM1KCNH2LMNAKMT2A
SCHEMBL19631818 0.88 SIGMAR1 (0.54) SIGMAR1OPRM1KCNH2LMNA
SCHEMBL19615171 0.87 SIGMAR1 (0.43) SIGMAR1OPRM1KCNH2SLC6A3LMNA
SCHEMBL19631759 0.87 SLC6A3 (0.49) SIGMAR1OPRM1KCNH2SLC6A3DRD2
SCHEMBL19631859 0.87 SIGMAR1 (0.41) SIGMAR1OPRM1KCNH2
SCHEMBL19631605 0.85 SIGMAR1 (0.40) SIGMAR1OPRM1KCNH2SLC6A3LMNA
SCHEMBL19631854 0.85 SLC6A3 (0.46) SIGMAR1OPRM1KCNH2SLC6A3LMNA

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 2/4885OPRM1 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.