SCHEMBL19631959

SCHEMBL19631959

CC1CC(C#N)(N2CCN(Cc3ccccc3)CC2)CCO1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.45
ACHE P22303 1/20 0.45
SIGMAR1 Q99720 8/20 0.42
MC4R P32245 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
OPRL1 P41146 1/20 0.39
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL19631908 0.89 ACHE (0.47) OPRM1ACHESIGMAR1KCNH2
SCHEMBL3523156 0.81 OPRM1 (0.52) OPRM1SIGMAR1MC4RLMNAPOLB
SCHEMBL22441511 0.79 OPRM1 (0.59) OPRM1SIGMAR1MC4RLMNAPOLB
SCHEMBL19631567 0.79 OPRM1 (0.50) OPRM1SIGMAR1MC4RLMNAPOLB
SCHEMBL21221666 0.79 SIGMAR1 (0.48) OPRM1ACHESIGMAR1MC4RLMNA
SCHEMBL21221636 0.79 SIGMAR1 (0.48) OPRM1ACHESIGMAR1MC4RLMNA
SCHEMBL19615075 0.78 ACHE (0.47) OPRM1ACHESIGMAR1
SCHEMBL19631651 0.78 ACHE (0.47) OPRM1ACHESIGMAR1
SCHEMBL18458522 0.78 ALDH1A1 (0.56) OPRM1SIGMAR1MC4RLMNAPOLB
SCHEMBL18458358 0.77 OPRM1 (0.56) OPRM1SIGMAR1MC4RLMNAPOLB

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 4/4885ACHE 81/4885SIGMAR1 2/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 OPRM1 4/4885ACHE 81/4885SIGMAR1 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.