SCHEMBL19631774

SCHEMBL19631774

CC1(C)CC(C)(N2CCN(Cc3ccccc3)CC2)CCO1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.50
MC4R P32245 1/20 0.47
OPRM1 P35372 2/20 0.46
KCNH2 Q12809 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2D6 P10635 2/20 0.44
TMEM97 Q5BJF2 2/20 0.43
DRD4 P21917 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL19631854 0.86 SLC6A3 (0.46) SIGMAR1OPRM1KCNH2LMNACYP2D6
SCHEMBL18423198 0.85 SIGMAR1 (0.47) SIGMAR1MC4ROPRM1KCNH2LMNA
SCHEMBL19631775 0.84 SIGMAR1 (0.52) SIGMAR1MC4ROPRM1KCNH2LMNA
SCHEMBL19631818 0.84 SIGMAR1 (0.54) SIGMAR1MC4ROPRM1KCNH2LMNA
SCHEMBL19631909 0.84 NPSR1 (0.45) SIGMAR1MC4ROPRM1KCNH2LMNA
SCHEMBL18458356 0.83 SIGMAR1 (0.51) SIGMAR1MC4ROPRM1KCNH2LMNA
SCHEMBL19631686 0.83 MEN1 (0.44) SIGMAR1MC4ROPRM1KCNH2LMNA
SCHEMBL3520635 0.82 SIGMAR1 (0.56) SIGMAR1MC4ROPRM1KCNH2LMNA
SCHEMBL18458522 0.82 ALDH1A1 (0.56) SIGMAR1MC4ROPRM1KCNH2LMNA
SCHEMBL19631675 0.80 SIGMAR1 (0.47) SIGMAR1OPRM1KCNH2LMNACYP2D6

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 SIGMAR1 2/4885MC4R 148/4885OPRM1 4/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 SIGMAR1 2/4885MC4R 148/4885OPRM1 4/4885

“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.