SCHEMBL19631936

SCHEMBL19631936

CCC1(N2CCN(CCc3ccncc3)CC2)CCOC(C)(C)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
SIGMAR1 Q99720 4/20 0.39
OPRM1 P35372 3/20 0.39
KCNH2 Q12809 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
THRB P10828 4/20 0.38
POLB P06746 1/20 0.36
HSD11B1 P28845 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL19631708 0.89 SIGMAR1 (0.45) SIGMAR1OPRM1KCNH2KMT2ALMNA
SCHEMBL19631716 0.89 SIGMAR1 (0.45) SIGMAR1OPRM1KCNH2KMT2ALMNA
SCHEMBL19631654 0.89 SIGMAR1 (0.45) SIGMAR1OPRM1KCNH2KMT2ALMNA
SCHEMBL19631859 0.88 SIGMAR1 (0.41) HRH3SIGMAR1OPRM1KCNH2
SCHEMBL19631797 0.85 TDP1 (0.50) TDP1L3MBTL1HRH3CYP1A2CYP3A4
SCHEMBL19631581 0.84 OPRM1 (0.35) SIGMAR1OPRM1KCNH2
SCHEMBL19631724 0.82 OPRM1 (0.44) HRH3SIGMAR1OPRM1KCNH2THRB
SCHEMBL19631759 0.81 SLC6A3 (0.49) SIGMAR1OPRM1KCNH2
SCHEMBL19631707 0.81 SIGMAR1 (0.43) SIGMAR1OPRM1KCNH2KMT2ALMNA
SCHEMBL19631805 0.79 SIGMAR1 (0.42) SIGMAR1OPRM1KCNH2

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 TDP1 2271/4885L3MBTL1 4377/4885HRH3 1276/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 TDP1 2271/4885L3MBTL1 4377/4885HRH3 1276/4885

“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.