SCHEMBL19631797

SCHEMBL19631797

CCC1(N2CCN(CCc3ccncc3)CC2)CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
CYP3A4 P08684 2/20 0.49
CYP1A2 P05177 1/20 0.49
SIGMAR1 Q99720 4/20 0.44
OPRM1 P35372 3/20 0.44
HSD11B1 P28845 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 4/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.39
HTR7 P34969 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
SCHEMBL19631689 0.87 SIGMAR1 (0.52) SIGMAR1OPRM1MEN1KMT2APOLB
SCHEMBL19631785 0.85 OPRM1 (0.44) TDP1L3MBTL1HRH3SIGMAR1OPRM1
SCHEMBL19631936 0.85 TDP1 (0.46) TDP1L3MBTL1HRH3CYP3A4CYP1A2
SCHEMBL19631783 0.85 HRH3 (0.54) TDP1L3MBTL1HRH3CYP3A4CYP1A2
SCHEMBL19631720 0.81 OPRM1 (0.37) SIGMAR1OPRM1POLBHTR7KCNH2
SCHEMBL19631827 0.79 OPRM1 (0.47) HRH3SIGMAR1OPRM1THRBKCNH2
SCHEMBL19631683 0.78 SLC6A3 (0.54) SIGMAR1OPRM1KCNH2
SCHEMBL4331523 0.77 TDP1 (0.70) TDP1L3MBTL1HRH3CYP3A4CYP1A2
SCHEMBL22169634 0.76 SIGMAR1 (0.42) HRH3CYP1A2SIGMAR1OPRM1KCNH2
SCHEMBL19631713 0.76 KCNH2 (0.50) HRH3SIGMAR1OPRM1KCNH2

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 TDP1 2271/4885L3MBTL1 4377/4885HRH3 1276/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 TDP1 2271/4885L3MBTL1 4377/4885HRH3 1276/4885

“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.