SCHEMBL19631619

SCHEMBL19631619

COc1ccc(CN2CCN(C3(C(=O)c4ccccn4)CCOCC3)CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.44
GHSR Q92847 1/20 0.39
KCNH2 Q12809 2/20 0.39
CCR8 P51685 1/20 0.39
OPRM1 P35372 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
SRPK1 Q96SB4 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
ADAM17 P78536 1/20 0.38
PTGER2 P43116 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIK3CA P42336 2/20 0.37
PRKAA2 P54646 2/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
CD274 Q9NZQ7 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
SCHEMBL19631728 0.88 SMN1; SMN2 (0.51) SIGMAR1MMP1MMP9MMP13ADAM17
SCHEMBL19631615 0.87 GRM2 (0.41) KCNH2CCR8OPRM1SIGMAR1SRPK1
SCHEMBL19631555 0.84 SIGMAR1 (0.49) KCNH2OPRM1SIGMAR1SMN1; SMN2
SCHEMBL19631617 0.83 CHEK1 (0.39) KCNH2OPRM1SIGMAR1PRMT5WDR77
SCHEMBL19631618 0.83 PPARD (0.44) KCNH2OPRM1SIGMAR1SRPK1PRMT5
SCHEMBL19631738 0.83 KMT2A (0.46) KCNH2CCR8SMN1; SMN2
SCHEMBL19631786 0.83 GALR3 (0.44) KCNH2CCR8SIGMAR1
SCHEMBL19631725 0.82 KDM4E (0.47) KCNH2OPRM1PRKAA2
SCHEMBL21233704 0.80 TRPV6 (0.43) TRPV6KCNH2OPRM1SIGMAR1SRPK1
SCHEMBL19631784 0.80 SIGMAR1 (0.41) KCNH2OPRM1SIGMAR1SMN1; SMN2

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 TRPV6 36/4885GHSR 4538/4885KCNH2 1972/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 TRPV6 36/4885GHSR 4538/4885KCNH2 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.