SCHEMBL19631869

SCHEMBL19631869

CC1(C)CC(C#N)(C2CCN(Cc3ccccc3)CC2)CCO1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
ACHE P22303 1/20 0.44
CXCR3 P49682 1/20 0.43
SIGMAR1 Q99720 8/20 0.42
CHRM4 P08173 1/20 0.41
CCR3 P51677 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39

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
SCHEMBL18425484 0.83 OPRM1 (0.50) OPRM1ACHECXCR3SIGMAR1CHRM4
SCHEMBL19615075 0.80 ACHE (0.47) OPRM1ACHECXCR3SIGMAR1CHRM4
SCHEMBL19631651 0.80 ACHE (0.47) OPRM1ACHECXCR3SIGMAR1CHRM4
SCHEMBL19615057 0.79 ACHE (0.46) OPRM1ACHECXCR3SIGMAR1CCR3
SCHEMBL7629033 0.78 OPRM1 (0.52) OPRM1ACHECXCR3SIGMAR1CHRM4
SCHEMBL18458522 0.77 ALDH1A1 (0.56) OPRM1SIGMAR1TMEM97
SCHEMBL13548371 0.76 OPRM1 (0.60) OPRM1ACHESIGMAR1
SCHEMBL19631583 0.74 ALDH1A1 (0.47) OPRM1SIGMAR1
SCHEMBL19631918 0.74 CXCR3 (0.44) ACHECXCR3SIGMAR1HRH3
SCHEMBL19631845 0.73 ALDH1A1 (0.52) OPRM1SIGMAR1HRH3TMEM97

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 7 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-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 OPRM1 4/4885ACHE 81/4885CXCR3 637/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 OPRM1 4/4885ACHE 81/4885CXCR3 637/4885

“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.