SCHEMBL19631618

SCHEMBL19631618

O=C(c1ccccn1)C1(N2CCN(Cc3ccc(C(F)(F)F)nc3)CC2)CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.44
HIF1A Q16665 2/20 0.43
EPAS1 Q99814 2/20 0.43
MGLL Q99685 1/20 0.43
OPRM1 P35372 5/20 0.43
SIGMAR1 Q99720 4/20 0.43
KCNH2 Q12809 3/20 0.43
SRPK1 Q96SB4 3/20 0.40
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
CYP2D6 P10635 1/20 0.37
TGFBR1 P36897 1/20 0.37

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
SCHEMBL19631656 0.88 OPRM1 (0.44) OPRM1SIGMAR1KCNH2SRPK1DRD2
SCHEMBL19631725 0.84 KDM4E (0.47) OPRM1KCNH2
SCHEMBL19631555 0.84 SIGMAR1 (0.49) OPRM1SIGMAR1KCNH2CYP2D6
SCHEMBL19631727 0.83 PRCP (0.49) KCNH2DRD2
SCHEMBL19631619 0.83 TRPV6 (0.44) OPRM1SIGMAR1KCNH2SRPK1PRMT5
SCHEMBL19631617 0.83 CHEK1 (0.39) HIF1AEPAS1OPRM1SIGMAR1KCNH2
SCHEMBL19631784 0.82 SIGMAR1 (0.41) OPRM1SIGMAR1KCNH2
SCHEMBL19631728 0.81 SMN1; SMN2 (0.51) HIF1AEPAS1SIGMAR1CYP2D6
SCHEMBL19631857 0.80 CYP2D6 (0.48) HIF1ACYP2D6
SCHEMBL19631700 0.78 SIGMAR1 (0.47) OPRM1SIGMAR1KCNH2CYP2D6

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 PPARD 115/4885HIF1A 1151/4885EPAS1 4472/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 PPARD 115/4885HIF1A 1151/4885EPAS1 4472/4885

“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.