SCHEMBL490256

SCHEMBL490256

CN1CCC(=C2c3ccccc3Oc3cc(Br)ccc32)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 5/20 0.76
DRD2 P14416 5/20 0.49
CHRM2 P08172 4/20 0.49
HTR1A P08908 4/20 0.49
CHRM1 P11229 4/20 0.49
ADRA1A P35348 4/20 0.49
KCNH2 Q12809 4/20 0.49
ADRA2A P08913 3/20 0.49
DRD1 P21728 3/20 0.49
SLC6A2 P23975 3/20 0.49
SLC6A4 P31645 3/20 0.49
DRD3 P35462 3/20 0.49
SLC6A3 Q01959 3/20 0.49
HTR2A P28223 3/20 0.49
HTR2C P28335 3/20 0.49
HRH1 P35367 3/20 0.49
HTR2B P41595 3/20 0.49
CYP2D6 P10635 2/20 0.49
TBXA2R P21731 2/20 0.49
CYP2C19 P33261 2/20 0.49

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
SCHEMBL11573091 0.92 SETD7 (0.76) SETD7DRD2CHRM2HTR1ACHRM1
SCHEMBL5905710 0.87 SETD7 (1.00) SETD7DRD2CHRM2HTR1ACHRM1
SCHEMBL490214 0.84 SETD7 (0.56) SETD7DRD2CHRM2HTR1ACHRM1
SCHEMBL490515 0.80 SETD7 (0.68) SETD7DRD2CHRM2HTR1ACHRM1
SCHEMBL5103215 0.78 SETD7 (0.46) SETD7KCNH2AHR
SCHEMBL11576560 0.78 SETD7 (0.76) SETD7DRD2CHRM2HTR1ACHRM1
Clopipazan SCHEMBL1816896 0.78 SETD7 (0.76) SETD7DRD2CHRM2HTR1ACHRM1
SCHEMBL2628172 0.78 SETD7 (0.45) SETD7DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL10956547 0.78 SETD7 (0.54) SETD7DRD2CHRM2HTR1ACHRM1
SCHEMBL490143 0.77 SETD7 (0.64) SETD7DRD2CHRM2HTR1ACHRM1

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 4197/4885DRD2 205/4885CHRM2 125/4885
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 SETD7 4197/4885DRD2 205/4885CHRM2 125/4885
US-20050009860-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 SETD7 4197/4885DRD2 205/4885CHRM2 125/4885
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 SETD7 4197/4885DRD2 205/4885CHRM2 125/4885

“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.