SCHEMBL19631738

SCHEMBL19631738

COc1cc(CN2CCN(C3(C(=O)c4ccccn4)CCOCC3)CC2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
GRM4 Q14833 1/20 0.45
DRD4 P21917 2/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 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
HTT P42858 1/20 0.42
MCHR1 Q99705 1/20 0.42
CCR8 P51685 1/20 0.41
KCNH2 Q12809 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
SCHEMBL19631786 0.93 GALR3 (0.44) KMT2AMEN1DRD4ALDH1A1KDM4E
SCHEMBL19631784 0.89 SIGMAR1 (0.41) DRD4ALDH1A1LMNAHTTKCNH2
SCHEMBL19631728 0.86 SMN1; SMN2 (0.51) KMT2AMEN1ALDH1A1KDM4ETSHR
SCHEMBL19631615 0.84 GRM2 (0.41) GRM4ALDH1A1KDM4ECCR8KCNH2
SCHEMBL19631613 0.84 GRM4 (0.45) GRM4
SCHEMBL19631725 0.84 KDM4E (0.47) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL19631619 0.83 TRPV6 (0.44) CCR8KCNH2SMN1; SMN2
SCHEMBL19631695 0.82 GRM4 (0.38) GRM4KCNH2
SCHEMBL19631555 0.81 SIGMAR1 (0.49) ALDH1A1KDM4ETSHRKCNH2SMN1; SMN2
SCHEMBL19631656 0.80 OPRM1 (0.44) DRD2DRD3KCNH2

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 KMT2A 4336/4885MEN1 4883/4885GRM4 82/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 KMT2A 4336/4885MEN1 4883/4885GRM4 82/4885

“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.