SCHEMBL19631567

SCHEMBL19631567

N#CC1(N2CCN(Cc3ccccc3)CC2)CCOC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.50
SIGMAR1 Q99720 6/20 0.47
KCNH2 Q12809 1/20 0.43
OPRL1 P41146 2/20 0.43
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MC4R P32245 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
KCNA3 P22001 1/20 0.41
DRD4 P21917 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 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
SCHEMBL3523156 0.92 OPRM1 (0.52) OPRM1SIGMAR1KCNH2OPRL1CYP3A4
SCHEMBL18458521 0.89 SIGMAR1 (0.53) OPRM1SIGMAR1KCNH2CYP3A4HSD17B10
SCHEMBL21337177 0.85 OPRM1 (0.46) OPRM1SIGMAR1KCNH2OPRL1CYP3A4
SCHEMBL22441511 0.84 OPRM1 (0.59) OPRM1SIGMAR1OPRL1CYP3A4HSD17B10
SCHEMBL18458358 0.82 OPRM1 (0.56) OPRM1SIGMAR1OPRL1CYP3A4HSD17B10
SCHEMBL2086022 0.81 OPRM1 (0.56) OPRM1SIGMAR1OPRL1CYP3A4HSD17B10
SCHEMBL5199646 0.81 OPRM1 (0.55) OPRM1SIGMAR1OPRL1CYP3A4HSD17B10
SCHEMBL14836350 0.81 OPRM1 (0.55) OPRM1SIGMAR1OPRL1CYP3A4HSD17B10
SCHEMBL18458522 0.80 ALDH1A1 (0.56) OPRM1SIGMAR1KCNH2OPRL1CYP3A4
SCHEMBL18458520 0.79 OPRM1 (0.45) OPRM1SIGMAR1KCNH2OPRL1CYP3A4

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 4/4885SIGMAR1 2/4885KCNH2 1972/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 OPRM1 4/4885SIGMAR1 2/4885KCNH2 1972/4885

“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.