SCHEMBL3179136

SCHEMBL3179136

O=C(c1ccc2c(c1)Sc1ccccc1N2C1CC2CCC(C1)N2CCc1ccccc1)N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.54
OPRD1 P41143 5/20 0.54
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
STAT1 P42224 1/20 0.47
CHRNA7 P36544 1/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
L3MBTL3 Q96JM7 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TP53BP1 Q12888 1/20 0.40
CCR5 P51681 1/20 0.40
MBTD1 Q05BQ5 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL3178074 0.90 RAB9A (0.47) OPRM1OPRD1ALDH1A1HPGDSTAT1
SCHEMBL3173291 0.86 ALDH1A1 (0.43) ALDH1A1HPGDSTAT1TP53POLB
SCHEMBL3182206 0.83 ALDH1A1 (0.41) OPRM1OPRD1ALDH1A1HPGDSTAT1
SCHEMBL3168440 0.82 ALDH1A1 (0.43) ALDH1A1HPGDSTAT1TP53POLB
SCHEMBL5116460 0.80 L3MBTL3 (0.48) ALDH1A1HPGDSTAT1L3MBTL3L3MBTL1
SCHEMBL3185607 0.79 OPRM1 (0.44) OPRM1OPRD1HRH3
SCHEMBL3179018 0.77 HRH3 (0.44) OPRM1OPRD1CHRNA7OPRK1KCNH2
SCHEMBL5111729 0.77 NPC1 (0.49) OPRM1OPRD1ALDH1A1HPGDSTAT1
SCHEMBL3174295 0.75 ALPL (0.48) OPRM1OPRD1ALDH1A1CHRNA7TP53
SCHEMBL3178297 0.75 PDK2 (0.41) ALDH1A1HPGDMAPTNPC1RAB9A

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 16 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
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 4/4885OPRD1 1/4885ALDH1A1 1372/4885
US-20060135763-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 OPRM1 4/4885OPRD1 1/4885ALDH1A1 1302/4885
US-20090042871-A1 Tricyclic Delta-Opioid Modulators OPRD1, OPRK1, OPRL1 OPRM1 4/4885OPRD1 1/4885ALDH1A1 1302/4885

“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.