SCHEMBL490299

SCHEMBL490299

CCNC(=O)c1ccc2c(c1)OCc1ccccc1C2=C1CCN(C(=O)OCC(Cl)(Cl)Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.42
ROCK2 O75116 6/20 0.41
KCNH2 Q12809 2/20 0.41
SLC6A15 Q9H2J7 4/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
CACNA1F O60840 1/20 0.41
NR1I2 O75469 1/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CHRM2 P08172 1/20 0.41
ABCB1 P08183 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 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
SCHEMBL490594 0.87 HRH1 (0.42) HRH1KCNH2SLC6A15MAPTMEN1
SCHEMBL490493 0.85 ROCK2 (0.48) ROCK2KCNH2ALDH1A1PIK3CAPIK3CB
SCHEMBL490273 0.79 OPRD1 (0.46) ROCK2KCNH2OPRM1PIK3CAPIK3CB
SCHEMBL490378 0.79 ROCK2 (0.48) ROCK2KCNH2CYP2D6OPRK1PIK3CA
SCHEMBL9168240 0.78 PTAFR (0.58) HRH1KCNH2SLC6A15MAPTMEN1
SCHEMBL12065129 0.78 HRH1 (0.61) HRH1KCNH2SLC6A15MAPTMEN1
SCHEMBL3138906 0.76 ROCK2 (0.45) ROCK2KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL9718766 0.76 HRH1 (0.61) HRH1KCNH2SLC6A15MAPTMEN1
SCHEMBL5905792 0.76 SETD7 (0.49) HRH1KCNH2SLC6A15MAPTMEN1
SCHEMBL12065130 0.76 KCNH2 (0.57) HRH1KCNH2SLC6A15MAPTMEN1

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 8 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
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 HRH1 584/4885ROCK2 2549/4885KCNH2 618/4885
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 HRH1 584/4885ROCK2 2549/4885KCNH2 618/4885
US-20050009860-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 HRH1 584/4885ROCK2 2549/4885KCNH2 618/4885
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 HRH1 584/4885ROCK2 2549/4885KCNH2 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.