SCHEMBL3168609

SCHEMBL3168609

CC(C)(C)OC(=O)N1C2CCC1CC(N1c3ccccc3Oc3cc(-c4cccnc4)ccc31)C2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.42
CYP11B1 P15538 6/20 0.41
CYP11B2 P19099 6/20 0.41
USP30 Q70CQ3 1/20 0.40
KDM1A O60341 1/20 0.39
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
KIT P10721 1/20 0.37
KDM4D Q6B0I6 2/20 0.36
GBA1 P04062 1/20 0.36

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
SCHEMBL3168603 1.00 GPR119 (0.42) GPR119CYP11B1CYP11B2USP30KDM1A
SCHEMBL3173885 1.00 GPR119 (0.42) GPR119CYP11B1CYP11B2USP30KDM1A
SCHEMBL3182605 0.90 USP30 (0.40) GPR119USP30CHRM2CHRM1CHRM3
SCHEMBL3167814 0.90 USP30 (0.40) GPR119USP30CHRM2CHRM1CHRM3
SCHEMBL3174238 0.90 USP30 (0.40) GPR119USP30CHRM2CHRM1CHRM3
SCHEMBL3993291 0.88 CYP11B1 (0.38) GPR119CYP11B1CYP11B2USP30KDM1A
SCHEMBL3178958 0.88 GPR119 (0.39) GPR119CYP11B1CYP11B2USP30KDM1A
SCHEMBL3178962 0.88 GPR119 (0.39) GPR119CYP11B1CYP11B2USP30KDM1A
SCHEMBL5115016 0.87 GPR119 (0.53) GPR119CYP11B1CYP11B2USP30KDM1A
SCHEMBL3168161 0.82 CHRM2 (0.43) GPR119CHRM2CHRM1CHRM3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093709-A1 TRICYCLIC DELTA OPIOID MODULATORS COATS STEVEN J 2010-04-15 US claimed
EP-1833826-B1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP claimed
US-7439239-B2 Tricyclic δ- opioid modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-10-21 US claimed
US-20060135763-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-22 US claimed
US-20100093709-A1 TRICYCLIC DELTA OPIOID MODULATORS COATS STEVEN J 2010-04-15 US disclosed
US-7652005-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-26 US disclosed
EP-1833826-B1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP disclosed
US-20090042871-A1 Tricyclic Delta-Opioid Modulators COATS STEVEN J 2009-02-12 US disclosed
US-7439239-B2 Tricyclic δ- opioid modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-10-21 US disclosed
EP-1833826-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 EP disclosed
WO-2006069276-A2 TRICYCLIC ō-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO disclosed
US-20060135763-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-22 US 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 (3 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-20100093709-A1 TRICYCLIC DELTA OPIOID MODULATORS OPRD1, OPRK1, OPRL1 GPR119 654/4885CYP11B1 411/4885CYP11B2 415/4885
US-20060135763-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 GPR119 540/4885CYP11B1 426/4885CYP11B2 416/4885
US-20090042871-A1 Tricyclic Delta-Opioid Modulators OPRD1, OPRK1, OPRL1 GPR119 540/4885CYP11B1 426/4885CYP11B2 416/4885

“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.