SCHEMBL19631700

SCHEMBL19631700

O=C(c1ccccn1)C1(N2CCN(Cc3ccccc3)CC2)CCOC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.47
OPRM1 P35372 4/20 0.47
BCHE P06276 1/20 0.47
CYP2C9 P11712 2/20 0.46
CYP3A4 P08684 1/20 0.46
CHRM2 P08172 1/20 0.46
KCNH2 Q12809 2/20 0.45
TSHR P16473 1/20 0.45
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR7 P34969 2/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 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
SCHEMBL19631555 0.93 SIGMAR1 (0.49) SIGMAR1OPRM1BCHECYP2C9CYP3A4
SCHEMBL19631725 0.85 KDM4E (0.47) OPRM1KCNH2ALDH1A1KDM4E
SCHEMBL19631756 0.83 SIGMAR1 (0.46) SIGMAR1OPRM1BCHECYP2C9CYP3A4
SCHEMBL19615125 0.83 SIGMAR1 (0.46) SIGMAR1OPRM1BCHECYP2C9CYP3A4
SCHEMBL19631728 0.83 SMN1; SMN2 (0.51) SIGMAR1TSHRCYP2D6ALDH1A1SMN1; SMN2
SCHEMBL19632022 0.83 SIGMAR1 (0.46) SIGMAR1OPRM1BCHECYP2C9CYP3A4
SCHEMBL21233843 0.82 OPRM1 (0.45) SIGMAR1OPRM1CHRM2KCNH2TSHR
SCHEMBL21221624 0.82 SIGMAR1 (0.46) SIGMAR1OPRM1BCHECYP2C9CYP3A4
SCHEMBL21221682 0.82 CYP3A4 (0.44) SIGMAR1OPRM1BCHECYP2C9CYP3A4
SCHEMBL21233718 0.82 SIGMAR1 (0.46) SIGMAR1OPRM1BCHECYP2C9CYP3A4

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 4/4885BCHE 3175/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 SIGMAR1 2/4885OPRM1 4/4885BCHE 3175/4885

“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.