SCHEMBL19631934

SCHEMBL19631934

CC1(C)CC(c2ccccn2)(C2CCNCC2)CCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.38
OPRM1 P35372 12/20 0.35
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
TSHR P16473 2/20 0.32
HTR1A P08908 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP1A2 P05177 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL19631570 0.82 OPRM1 (0.39) SLC6A2OPRM1CHRM2CHRM4CHRM5
SCHEMBL21221668 0.80 CHRM2 (0.39) SLC6A2OPRM1CHRM2CHRM4CHRM5
SCHEMBL19631874 0.79 CHRM2 (0.36) SLC6A2OPRM1CHRM2CHRM4CHRM5
SCHEMBL19631918 0.79 CXCR3 (0.44) CHRM2CHRM1CHRM3DRD2DRD3
SCHEMBL19631997 0.75 KDM1A (0.40) SLC6A2OPRM1CHRM2CHRM4CHRM5
SCHEMBL21221664 0.68 HSD11B1 (0.38) SLC6A2OPRM1TSHRALDH1A1
SCHEMBL746867 0.66 ALDH1A1 (0.46) SLC6A2OPRM1TSHRSLC6A4ALDH1A1
SCHEMBL16371974 0.64 CHRM2 (0.38) SLC6A2OPRM1CHRM2CHRM4CHRM5
SCHEMBL6302301 0.64 GRIN1 (0.41) SLC6A2OPRM1
SCHEMBL16386079 0.64 SLC6A2 (0.46) SLC6A2CHRM2CHRM4CHRM5CHRM1

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 SLC6A2 1011/4885OPRM1 4/4885CHRM2 1110/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 SLC6A2 1011/4885OPRM1 4/4885CHRM2 1110/4885

“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.