SCHEMBL490296

SCHEMBL490296

CCN(CC)C(=O)c1ccc2c(=O)c3ccccc3sc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.56
ALDH1A1 P00352 7/20 0.56
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
NPC1 O15118 1/20 0.56
GLA P06280 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
ALOX12 P18054 1/20 0.56
RAB9A P51151 1/20 0.56
CD274 Q9NZQ7 1/20 0.52
TDP1 Q9NUW8 1/20 0.46
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 2/20 0.44
CNR2 P34972 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL20351924 0.87 ALDH1A1 (0.46) HPGDALDH1A1MAPTLMNANPC1
SCHEMBL21479796 0.80 ALDH1A1 (0.46) HPGDALDH1A1MAPTLMNANPC1
SCHEMBL10989791 0.78 ALDH1A1 (0.54) HPGDALDH1A1MAPTLMNANPC1
SCHEMBL490124 0.78 ALDH1A1 (0.44) HPGDALDH1A1MAPTLMNANPC1
SCHEMBL490172 0.78 TTR (0.54) HPGDALDH1A1MAPTLMNANPC1
SCHEMBL9329684 0.77 KDM4E (0.53) HPGDALDH1A1MAPTLMNANPC1
SCHEMBL11633242 0.77 KDM4E (0.49) HPGDALDH1A1MAPTLMNANPC1
SCHEMBL490194 0.76 MAPT (0.52) HPGDALDH1A1MAPTLMNANPC1
SCHEMBL10846058 0.76 MAPT (0.46) HPGDALDH1A1MAPTLMNANPC1
SCHEMBL13390246 0.76 KDM4E (0.53) HPGDALDH1A1MAPTLMNANPC1

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 HPGD 860/4885ALDH1A1 1302/4885MAPT 1156/4885
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 HPGD 860/4885ALDH1A1 1302/4885MAPT 1156/4885
US-20050009860-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 HPGD 860/4885ALDH1A1 1302/4885MAPT 1156/4885
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 HPGD 860/4885ALDH1A1 1302/4885MAPT 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.