SCHEMBL19631786

SCHEMBL19631786

COc1ccc(CN2CCN(C3(C(=O)c4ccccn4)CCOCC3)CC2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.44
RAB9A P51151 1/20 0.44
DRD4 P21917 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
KMT2A Q03164 4/20 0.43
DOCK5 Q9H7D0 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 3/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
PDE4B Q07343 1/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 2/20 0.41
CCR8 P51685 1/20 0.41
KCNH2 Q12809 1/20 0.41
TP53 P04637 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
SCHEMBL19631738 0.93 KMT2A (0.46) DRD4KMT2AALDH1A1HTTKDM4E
SCHEMBL19631784 0.89 SIGMAR1 (0.41) RAB9ADRD4SIGMAR1ALDH1A1HTT
SCHEMBL19631728 0.86 SMN1; SMN2 (0.51) RAB9ASIGMAR1KMT2AALDH1A1KDM4E
SCHEMBL19631615 0.84 GRM2 (0.41) SIGMAR1ALDH1A1KDM4ECCR8KCNH2
SCHEMBL19631695 0.84 GRM4 (0.38) SIGMAR1KCNH2
SCHEMBL19631725 0.84 KDM4E (0.47) RAB9AKMT2AALDH1A1KDM4ELMNA
SCHEMBL19631619 0.83 TRPV6 (0.44) SIGMAR1CCR8KCNH2
SCHEMBL19631613 0.82 GRM4 (0.45) SIGMAR1
SCHEMBL19631555 0.81 SIGMAR1 (0.49) SIGMAR1ALDH1A1KDM4ETSHRKCNH2
SCHEMBL19631656 0.80 OPRM1 (0.44) SIGMAR1KCNH2

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 GALR3 355/4885RAB9A 3155/4885DRD4 119/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 GALR3 355/4885RAB9A 3155/4885DRD4 119/4885

“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.