SCHEMBL3182206

SCHEMBL3182206

CC(C)=CCN1C2CCC1CC(N1c3ccccc3Sc3cc(C(=O)N4CCCC4)ccc31)C2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
STAT1 P42224 1/20 0.41
LMNA P02545 4/20 0.40
TP53 P04637 5/20 0.39
POLB P06746 5/20 0.38
BCHE P06276 2/20 0.37
MAPT P10636 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL13394972 0.91 RAB9A (0.38) ALDH1A1HPGDSTAT1LMNAOPRM1
SCHEMBL3184029 0.90 SMN1; SMN2 (0.40) ALDH1A1HPGDLMNATP53MAPT
SCHEMBL3173291 0.85 ALDH1A1 (0.43) ALDH1A1HPGDSTAT1LMNATP53
SCHEMBL3179136 0.83 OPRM1 (0.54) ALDH1A1HPGDSTAT1TP53POLB
SCHEMBL3168440 0.80 ALDH1A1 (0.43) ALDH1A1HPGDSTAT1LMNATP53
SCHEMBL5116460 0.79 L3MBTL3 (0.48) ALDH1A1HPGDSTAT1LMNABCHE
SCHEMBL3185223 0.77 DRD2 (0.35) OPRM1OPRD1
SCHEMBL3178297 0.76 PDK2 (0.41) ALDH1A1HPGDLMNABCHEMAPT
SCHEMBL3178074 0.75 RAB9A (0.47) ALDH1A1HPGDSTAT1OPRM1OPRD1
SCHEMBL3168623 0.72 RAB9A (0.40) ALDH1A1HPGDSTAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652005-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-26 US claimed
EP-1833826-B1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP claimed
US-20090042871-A1 Tricyclic Delta-Opioid Modulators COATS STEVEN J 2009-02-12 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-20100093709-A1 TRICYCLIC DELTA OPIOID MODULATORS COATS STEVEN J 2010-04-15 US disclosed
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
US-7652005-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-26 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-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
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 ALDH1A1 1372/4885HPGD 926/4885STAT1 2547/4885
US-20060135763-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 ALDH1A1 1302/4885HPGD 860/4885STAT1 2821/4885
US-20090042871-A1 Tricyclic Delta-Opioid Modulators OPRD1, OPRK1, OPRL1 ALDH1A1 1302/4885HPGD 860/4885STAT1 2821/4885

“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.