SCHEMBL19631599

SCHEMBL19631599

O=C(c1ccccn1)C1(C2CCN(Cc3ccc(F)cc3)CC2)CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.48
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
KCNH2 Q12809 1/20 0.47
PRKAA2 P54646 1/20 0.46
SIGMAR1 Q99720 4/20 0.43
CXCR3 P49682 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A12 P48065 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
MCHR1 Q99705 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
SCHEMBL19631670 0.92 CYP3A4 (0.49) CACNA1GOPRM1KCNH2SIGMAR1CYP3A4
SCHEMBL19631637 0.88 PRKAA2 (0.48) PRKAA2CYP3A4CYP2C9KMT2A
SCHEMBL19631591 0.87 OPRM1 (0.45) CACNA1GOPRM1OPRD1KCNH2PRKAA2
SCHEMBL19631725 0.84 KDM4E (0.47) CACNA1GOPRM1OPRD1KCNH2PRKAA2
SCHEMBL19631642 0.79 CTSK (0.37) CYP3A4CYP2C9KDM4E
SCHEMBL19631554 0.79 CYP3A4 (0.45) OPRM1SIGMAR1CYP3A4CYP2C9KDM4E
SCHEMBL19631594 0.79 CYP3A4 (0.45) OPRM1SIGMAR1CYP3A4CYP2C9KDM4E
SCHEMBL21233668 0.79 CYP3A4 (0.45) OPRM1SIGMAR1CYP3A4CYP2C9KDM4E
SCHEMBL22169524 0.79 CYP3A4 (0.45) OPRM1SIGMAR1CYP3A4CYP2C9KDM4E
SCHEMBL19631701 0.79 CYP3A4 (0.45) OPRM1KCNH2SIGMAR1CYP3A4CYP2C9

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 4 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 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
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 CACNA1G 227/4885OPRM1 4/4885OPRD1 1/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 CACNA1G 227/4885OPRM1 4/4885OPRD1 1/4885

“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.