SCHEMBL19631875

SCHEMBL19631875

CN(Cc1ccccc1)[C@@H]1CCN(C2(C(=O)c3ccccn3)CCOC(C)(C)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.38
SIGMAR1 Q99720 2/20 0.38
LMNA P02545 3/20 0.37
AGTR2 P50052 2/20 0.37
KMT2A Q03164 1/20 0.37
MCHR1 Q99705 2/20 0.36
CCR5 P51681 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
KCNH2 Q12809 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
ICMT O60725 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
GRM4 Q14833 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34

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
SCHEMBL19615076 1.00 OPRM1 (0.38) OPRM1SIGMAR1LMNAAGTR2KMT2A
SCHEMBL21221683 1.00 OPRM1 (0.38) OPRM1SIGMAR1LMNAAGTR2KMT2A
SCHEMBL19632074 1.00 OPRM1 (0.38) OPRM1SIGMAR1LMNAAGTR2KMT2A
SCHEMBL19632009 1.00 OPRM1 (0.38) OPRM1SIGMAR1LMNAAGTR2KMT2A
SCHEMBL19615078 1.00 OPRM1 (0.38) OPRM1SIGMAR1LMNAAGTR2KMT2A
SCHEMBL21221670 1.00 OPRM1 (0.38) OPRM1SIGMAR1LMNAAGTR2KMT2A
SCHEMBL19632023 0.93 LMNA (0.37) OPRM1SIGMAR1LMNAKMT2ACYP3A4
SCHEMBL21221659 0.87 CYP2D6 (0.35) LMNAMCHR1CCR5KCNH2ALDH1A1
SCHEMBL21221658 0.87 CYP2D6 (0.35) LMNAMCHR1CCR5KCNH2ALDH1A1
SCHEMBL19631789 0.87 CYP2D6 (0.35) LMNAMCHR1CCR5KCNH2ALDH1A1

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 OPRM1 4/4885SIGMAR1 2/4885LMNA 4584/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 OPRM1 4/4885SIGMAR1 2/4885LMNA 4584/4885

“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.