SCHEMBL19631665

SCHEMBL19631665

O=C(c1ccccn1)C1(N2CCN(Cc3ccc(F)cc3F)CC2)CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GRM4 Q14833 1/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
LMNA P02545 2/20 0.40
GFER P55789 1/20 0.40
APP P05067 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CYP2A13 Q16696 1/20 0.39
KCNK3 O14649 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL19631725 0.86 KDM4E (0.47) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL19631784 0.83 SIGMAR1 (0.41) SMN1; SMN2ALDH1A1LMNAPOLBTP53
SCHEMBL19631555 0.81 SIGMAR1 (0.49) KDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL19631786 0.79 GALR3 (0.44) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL19631695 0.79 GRM4 (0.38) GRM4
SCHEMBL19631738 0.79 KMT2A (0.46) MEN1KMT2AGRM4KDM4ESMN1; SMN2
SCHEMBL19631613 0.79 GRM4 (0.45) GRM4
SCHEMBL19631656 0.78 OPRM1 (0.44)
SCHEMBL19631728 0.76 SMN1; SMN2 (0.51) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL19631857 0.75 CYP2D6 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1HSD17B10

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