SCHEMBL19631909

SCHEMBL19631909

CC1(C)CC(c2ccccc2)(N2CCN(Cc3ccccc3)CC2)CCO1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
SIGMAR1 Q99720 3/20 0.45
OPRL1 P41146 1/20 0.45
POLB P06746 2/20 0.44
OPRM1 P35372 2/20 0.44
KCNH2 Q12809 1/20 0.44
MC4R P32245 1/20 0.43
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTR1A P08908 2/20 0.40
ICMT O60725 1/20 0.40

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
SCHEMBL19631774 0.84 SIGMAR1 (0.50) NPSR1SIGMAR1POLBOPRM1KCNH2
SCHEMBL19615068 0.84 NPSR1 (0.44) NPSR1SIGMAR1OPRL1POLBOPRM1
SCHEMBL19631679 0.81 SIGMAR1 (0.53) NPSR1SIGMAR1OPRL1POLBOPRM1
SCHEMBL18423198 0.81 SIGMAR1 (0.47) NPSR1SIGMAR1OPRL1POLBOPRM1
SCHEMBL19631775 0.80 SIGMAR1 (0.52) SIGMAR1POLBOPRM1KCNH2MC4R
SCHEMBL19631818 0.80 SIGMAR1 (0.54) SIGMAR1POLBOPRM1KCNH2MC4R
SCHEMBL16111935 0.79 SIGMAR1 (0.62) NPSR1SIGMAR1OPRL1POLBOPRM1
SCHEMBL22169544 0.79 TSHR (0.40) NPSR1POLBTSHRLMNAICMT
SCHEMBL19631686 0.79 MEN1 (0.44) NPSR1SIGMAR1POLBOPRM1KCNH2
SCHEMBL18458356 0.79 SIGMAR1 (0.51) SIGMAR1POLBOPRM1KCNH2MC4R

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 9 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
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 NPSR1 43/4885SIGMAR1 2/4885OPRL1 5/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 NPSR1 43/4885SIGMAR1 2/4885OPRL1 5/4885

“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.