SCHEMBL490143

SCHEMBL490143

COC(=O)c1ccc2c(c1)Oc1ccccc1C2=C1CCN(C)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 5/20 0.64
TRPA1 O75762 1/20 0.45
ALOX5 P09917 1/20 0.44
HTT P42858 2/20 0.42
CYP3A4 P08684 1/20 0.42
KCNH2 Q12809 3/20 0.42
CHRM2 P08172 2/20 0.42
HTR1A P08908 2/20 0.42
ADRA2A P08913 2/20 0.42
CYP2D6 P10635 2/20 0.42
CHRM1 P11229 2/20 0.42
DRD1 P21728 2/20 0.42
TBXA2R P21731 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
CYP2C19 P33261 2/20 0.42
ADRA1A P35348 2/20 0.42
OPRM1 P35372 2/20 0.42
DRD3 P35462 2/20 0.42
SLC6A3 Q01959 2/20 0.42

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
SCHEMBL490515 0.87 SETD7 (0.68) SETD7HTTCYP3A4KCNH2CHRM2
SCHEMBL490196 0.87 SETD7 (0.48) SETD7HTTCYP3A4KCNH2CHRM2
SCHEMBL490625 0.81 SETD7 (0.60) SETD7HTTCYP3A4KCNH2CHRM2
SCHEMBL2633229 0.81 SLC6A4 (0.42) SETD7TRPA1ALOX5KCNH2CYP2D6
SCHEMBL5905710 0.80 SETD7 (1.00) SETD7HTTCYP3A4KCNH2CHRM2
SCHEMBL490256 0.77 SETD7 (0.76) SETD7HTTCYP3A4KCNH2CHRM2
SCHEMBL5905649 0.75 SETD7 (0.60) SETD7HTTCYP3A4CYP2D6CYP2C19
SCHEMBL490195 0.74 SETD7 (0.51) SETD7HTTCYP3A4KCNH2CHRM2
SCHEMBL3138914 0.73 KCNH2 (0.44) SETD7KCNH2ALDH1A1MEN1KMT2A
SCHEMBL3131643 0.73 KCNH2 (0.56) SETD7HTTCYP3A4KCNH2CHRM2

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 SETD7 4197/4885TRPA1 84/4885ALOX5 1363/4885
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 SETD7 4197/4885TRPA1 84/4885ALOX5 1363/4885
US-20050009860-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 SETD7 4197/4885TRPA1 84/4885ALOX5 1363/4885
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 SETD7 4197/4885TRPA1 84/4885ALOX5 1363/4885

“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.