SCHEMBL21233604

SCHEMBL21233604

CC(C)CCN1CCN(C2(C(O)c3ccccn3)CCOCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.41
CHRM4 P08173 3/20 0.41
CHRM5 P08912 3/20 0.41
CHRM1 P11229 3/20 0.41
CHRM3 P20309 3/20 0.41
ALDH1A1 P00352 1/20 0.40
HTR1A P08908 2/20 0.38
DRD2 P14416 2/20 0.37
OPRM1 P35372 2/20 0.37
DRD3 P35462 2/20 0.37
KCNA5 P22460 1/20 0.37
IDH1 O75874 2/20 0.35
CCR1 P32246 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
SCHEMBL20482028 0.81 ALDH1A1 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19631735 0.77 HTR1A (0.39) HTR1ADRD2DRD3
SCHEMBL21233704 0.77 TRPV6 (0.43) ALDH1A1OPRM1
SCHEMBL22169574 0.77 ALDH1A1 (0.39) ALDH1A1DRD2OPRM1DRD3
SCHEMBL22169640 0.75 OPRM1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL22169566 0.75 DRD4 (0.53) ALDH1A1HTR1ADRD2DRD3
SCHEMBL19631736 0.75 PRCP (0.47) CHRM4ALDH1A1DRD2
SCHEMBL19632043 0.74 DRD2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19631833 0.71 SIGMAR1 (0.41) CHRM2ALDH1A1OPRM1
SCHEMBL19632148 0.71 SLC6A4 (0.35) ALDH1A1DRD2OPRM1IDH1

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 2 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
US-20190241544-A1 TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-08-08 US 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 CHRM2 1110/4885CHRM4 759/4885CHRM5 709/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 CHRM2 1110/4885CHRM4 759/4885CHRM5 709/4885

“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.