SCHEMBL3175351

SCHEMBL3175351

c1csc(CN2C3CCC2CC(N2c4ccccc4Sc4cc(-c5ccncc5)ccc42)C3)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP2D6 P10635 4/20 0.36
CYP2C19 P33261 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
DRD2 P14416 2/20 0.35
ALDH1A1 P00352 4/20 0.35
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
RECQL P46063 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
ALOX12 P18054 2/20 0.33
CYP2C9 P11712 1/20 0.33
MAPT P10636 2/20 0.32

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
SCHEMBL5197862 0.91 CYP11B2 (0.38) OPRM1OPRK1KCNH2CYP2D6CYP2C19
SCHEMBL3174545 0.85 OPRM1 (0.37) OPRM1OPRK1KCNH2CYP2D6CYP2C19
SCHEMBL13394892 0.85 OPRM1 (0.37) OPRM1OPRK1KCNH2CYP2D6CYP2C19
SCHEMBL3183048 0.85 OPRM1 (0.38) OPRM1OPRK1KCNH2DRD2MAPT
SCHEMBL14044272 0.82 DRD2 (0.34) DRD2
SCHEMBL3185223 0.80 DRD2 (0.35) OPRM1CYP2D6KMT2AMEN1DRD2
SCHEMBL13394881 0.76 CYP11B2 (0.38) OPRM1OPRK1KCNH2CYP2D6CYP2C19
SCHEMBL3173509 0.76 CYP11B2 (0.38) OPRM1OPRK1KCNH2CYP2D6CYP2C19
SCHEMBL13394866 0.75 DRD2 (0.38) OPRM1OPRK1KCNH2CYP2D6DRD2
SCHEMBL3176047 0.75 DRD2 (0.38) OPRM1OPRK1KCNH2CYP2D6DRD2

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-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
EP-1833826-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 EP claimed
WO-2006069276-A2 TRICYCLIC ō-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO 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
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 OPRM1 4/4885OPRK1 2/4885KCNH2 623/4885
US-20060135763-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 OPRM1 4/4885OPRK1 2/4885KCNH2 618/4885
US-20090042871-A1 Tricyclic Delta-Opioid Modulators OPRD1, OPRK1, OPRL1 OPRM1 4/4885OPRK1 2/4885KCNH2 618/4885

“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.