SCHEMBL19631886

SCHEMBL19631886

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.40
SIGMAR1 Q99720 5/20 0.40
OPRM1 P35372 3/20 0.40
HTR2A P28223 5/20 0.37
GRM2 Q14416 1/20 0.36
ICMT O60725 3/20 0.35
CYP2A13 Q16696 1/20 0.34
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
DRD2 P14416 3/20 0.34
HTR2C P28335 3/20 0.34
MAOB P27338 1/20 0.34
MC4R P32245 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
SCHEMBL19631945 0.92 SIGMAR1 (0.41) KCNH2SIGMAR1OPRM1HTR2AICMT
SCHEMBL19631803 0.88 OPRM1 (0.41) KCNH2SIGMAR1OPRM1HTR2ADRD2
SCHEMBL19631703 0.84 SIGMAR1 (0.41) KCNH2SIGMAR1OPRM1DRD2
SCHEMBL19631805 0.82 SIGMAR1 (0.42) KCNH2SIGMAR1OPRM1HTR2AGRM2
SCHEMBL19631762 0.81 SLC6A3 (0.48) KCNH2SIGMAR1OPRM1HTR2AGRM2
SCHEMBL19631686 0.78 MEN1 (0.44) KCNH2SIGMAR1OPRM1MC4R
SCHEMBL19631597 0.76 CYP2A13 (0.48) KCNH2SIGMAR1OPRM1HTR2AGRM2
SCHEMBL19631885 0.75 HTR2A (0.40) KCNH2SIGMAR1OPRM1HTR2AHTR2C
SCHEMBL19631953 0.74 SIGMAR1 (0.44) KCNH2SIGMAR1OPRM1HTR2AICMT
SCHEMBL19631940 0.71 OPRM1 (0.36) KCNH2SIGMAR1OPRM1HTR2AHTR1D

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