SCHEMBL19631582

SCHEMBL19631582

CC1(C)CC(C(=O)c2ccccn2)(N2CCN(CCc3ccncc3F)CC2)CCO1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.35
HTR2C P28335 6/20 0.35
KCNH2 Q12809 3/20 0.35
OPRM1 P35372 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
GRM4 Q14833 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL19631885 0.91 HTR2A (0.40) HTR2AHTR2CKCNH2OPRM1SIGMAR1
SCHEMBL19631990 0.90 HTR2A (0.35) HTR2AKCNH2GRM4
SCHEMBL19631821 0.87 POLB (0.42) OPRM1SIGMAR1POLB
SCHEMBL19631967 0.85 OPRM1 (0.40) OPRM1SIGMAR1POLB
SCHEMBL19631924 0.85 SLC40A1 (0.35) KCNH2OPRM1SIGMAR1
SCHEMBL19631920 0.84 SIGMAR1 (0.40) KCNH2OPRM1SIGMAR1
SCHEMBL19631919 0.81 OPRM1 (0.38) HTR2AKCNH2OPRM1SIGMAR1GRM4
SCHEMBL19631938 0.81 OPRM1 (0.42) KCNH2OPRM1SIGMAR1
SCHEMBL19631914 0.81 OPRM1 (0.37) KCNH2OPRM1SIGMAR1GRM4
SCHEMBL19631755 0.80 TSHR (0.35) HTR2AGRM4

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 HTR2A 57/4885HTR2C 68/4885KCNH2 1972/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 HTR2A 57/4885HTR2C 68/4885KCNH2 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.