SCHEMBL3168161

SCHEMBL3168161

CC(C)(C)OC(=O)N1C2CCC1CC(N1c3ccccc3Oc3cc(Cl)ccc31)C2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
GPR119 Q8TDV5 5/20 0.40
PGR P06401 1/20 0.37
P2RX4 Q99571 2/20 0.36
KCNK3 O14649 2/20 0.36
KCNK9 Q9NPC2 2/20 0.36
HSD11B1 P28845 1/20 0.36
UTS2R Q9UKP6 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
SCHEMBL3183784 1.00 CHRM2 (0.43) CHRM2CHRM1CHRM3GPR119PGR
SCHEMBL3176038 1.00 CHRM2 (0.43) CHRM2CHRM1CHRM3GPR119PGR
SCHEMBL5226574 0.87 UTS2R (0.36) CHRM2CHRM1CHRM3GPR119PGR
SCHEMBL3168332 0.86 CHRM2 (0.41) CHRM2CHRM1CHRM3GPR119P2RX4
SCHEMBL3168339 0.86 CHRM2 (0.41) CHRM2CHRM1CHRM3GPR119P2RX4
SCHEMBL3173426 0.86 GPR119 (0.39) CHRM2CHRM1CHRM3GPR119
SCHEMBL3173421 0.86 GPR119 (0.39) CHRM2CHRM1CHRM3GPR119
SCHEMBL3167407 0.85 GPR119 (0.49) CHRM2CHRM1CHRM3GPR119
SCHEMBL3167400 0.85 GPR119 (0.49) CHRM2CHRM1CHRM3GPR119
SCHEMBL3184310 0.85 GPR119 (0.49) CHRM2CHRM1CHRM3GPR119

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 8 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 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 CHRM2 131/4885CHRM1 98/4885CHRM3 77/4885
US-20060135763-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 CHRM2 125/4885CHRM1 93/4885CHRM3 85/4885
US-20090042871-A1 Tricyclic Delta-Opioid Modulators OPRD1, OPRK1, OPRL1 CHRM2 125/4885CHRM1 93/4885CHRM3 85/4885

“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.