SCHEMBL490124

SCHEMBL490124

CCNC(=O)c1ccc2c(=O)c3ccccc3sc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
IMPDH2 P12268 1/20 0.44
MAPT P10636 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 4/20 0.43
HCRTR1 O43613 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PARP1 P09874 1/20 0.42
IP6K1 Q92551 1/20 0.41

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
SCHEMBL11632599 0.87 SMN1; SMN2 (0.55) ALDH1A1RAB9AGAAKDM4EL3MBTL1
SCHEMBL10846058 0.85 MAPT (0.46) ALDH1A1IMPDH2MAPTNPC1RAB9A
SCHEMBL26575957 0.85 CYP1A2 (0.56) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL490194 0.79 MAPT (0.52) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL10989791 0.78 ALDH1A1 (0.54) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL490296 0.78 HPGD (0.56) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL490172 0.78 TTR (0.54) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL30607029 0.78 HDAC1 (0.61) ALDH1A1IMPDH2MAPTRAB9ALMNA
SCHEMBL26119304 0.78 EGLN1 (0.52) ALDH1A1MAPTRAB9AKDM4EHPGD
SCHEMBL20351929 0.77 LMNA (0.50) ALDH1A1MAPTRAB9ALMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350041-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-08 US disclosed
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R (US) 2012-04-19 US disclosed
US-8106207-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-01-31 US disclosed
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R 2011-10-06 US disclosed
US-7982042-B2 delta-opioid receptor agonists as analgesics having reduced side effects and antagonists as immunosuppressants, antiinflammatory agents, neurological, psychiatric , urological and reproductive conditions;N-{2-[10-(8-Allyl-8-aza-bicyclo[3.2.1]oct-3-yl)-10H-phenothiazine-3-yl]-phenyl}-acetamide Janseen Pharmacautica NV (BE) 2011-07-19 US disclosed
US-20090298867-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R 2009-12-03 US disclosed
US-7589103-B2 Especially 2-aminocarbonyl-9-(thio)xanthenylidene-8-aza-bicyclo[3.2.1] octane derivatives are used in pharmaceutical and veterinary compositions for treating mild to severe pain and various diseases JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-15 US disclosed
EP-1644373-A1 TRICYCLIC DELTA OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-12 EP disclosed
WO-2005003131-A1 TRICYCLIC DELTA OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-13 WO disclosed
US-20050009860-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-01-13 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 (4 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-20090298867-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 ALDH1A1 1302/4885IMPDH2 2954/4885MAPT 1156/4885
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 ALDH1A1 1302/4885IMPDH2 2954/4885MAPT 1156/4885
US-20050009860-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 ALDH1A1 1302/4885IMPDH2 2954/4885MAPT 1156/4885
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 ALDH1A1 1302/4885IMPDH2 2954/4885MAPT 1156/4885

“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.