SCHEMBL19631958

SCHEMBL19631958

CC1(C)CC(C#N)(N2CCN(CCc3ccccc3)CC2)CCO1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.46
SIGMAR1 Q99720 4/20 0.43
OPRM1 P35372 3/20 0.40
SLC6A3 Q01959 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
DRD1 P21728 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL18458522 0.88 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2SIGMAR1OPRM1LMNA
SCHEMBL19631845 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2SIGMAR1OPRM1LMNA
SCHEMBL19631854 0.83 SLC6A3 (0.46) SIGMAR1OPRM1SLC6A3LMNACHRM2
SCHEMBL18458327 0.80 SMN1; SMN2 (0.53) SMN1; SMN2SIGMAR1OPRM1SLC6A3HTR1A
SCHEMBL19631708 0.79 SIGMAR1 (0.45) SIGMAR1OPRM1SLC6A3LMNACHRM2
SCHEMBL19631716 0.79 SIGMAR1 (0.45) SIGMAR1OPRM1SLC6A3LMNACHRM2
SCHEMBL19631654 0.79 SIGMAR1 (0.45) SIGMAR1OPRM1SLC6A3LMNACHRM2
SCHEMBL19631908 0.79 ACHE (0.47) SMN1; SMN2SIGMAR1OPRM1SLC6A3HTR1A
SCHEMBL19631703 0.78 SIGMAR1 (0.41) SIGMAR1OPRM1SLC6A3LMNACHRM2
SCHEMBL19631652 0.78 ACHE (0.46) SIGMAR1SLC6A3LMNACHRM2ADRA2A

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 ALDH1A1 2389/4885SMN1; SMN2 2299/4885SIGMAR1 2/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 ALDH1A1 2389/4885SMN1; SMN2 2299/4885SIGMAR1 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.