SCHEMBL19631893

SCHEMBL19631893

CC[C@@]1(N2CCN(CCc3ccccc3)CC2)CCO[C@@H](C)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.47
ACHE P22303 1/20 0.46
SIGMAR1 Q99720 12/20 0.43
OPRM1 P35372 11/20 0.43
KCNH2 Q12809 7/20 0.43
SLC6A3 Q01959 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 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
SCHEMBL21221638 1.00 HTR7 (0.47) HTR7ACHESIGMAR1OPRM1KCNH2
SCHEMBL19631911 1.00 HTR7 (0.47) HTR7ACHESIGMAR1OPRM1KCNH2
SCHEMBL21221636 0.88 SIGMAR1 (0.48) ACHESIGMAR1OPRM1KCNH2
SCHEMBL21221666 0.88 SIGMAR1 (0.48) ACHESIGMAR1OPRM1KCNH2
SCHEMBL19631689 0.83 SIGMAR1 (0.52) HTR7ACHESIGMAR1OPRM1KCNH2
SCHEMBL19631908 0.80 ACHE (0.47) HTR7ACHESIGMAR1OPRM1KCNH2
SCHEMBL19631708 0.78 SIGMAR1 (0.45) HTR7ACHESIGMAR1OPRM1KCNH2
SCHEMBL19631654 0.78 SIGMAR1 (0.45) HTR7ACHESIGMAR1OPRM1KCNH2
SCHEMBL19631716 0.78 SIGMAR1 (0.45) HTR7ACHESIGMAR1OPRM1KCNH2
SCHEMBL21221678 0.77 LMNA (0.30)

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 HTR7 139/4885ACHE 81/4885SIGMAR1 2/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 HTR7 139/4885ACHE 81/4885SIGMAR1 2/4885

“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.