SCHEMBL490528

SCHEMBL490528

CC(C)CNC(=O)c1ccc2c(c1)Oc1ccccc1C2=C1CC2CCC(C1)N2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
OPRD1 P41143 4/20 0.41
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 1/20 0.41
OPRM1 P35372 3/20 0.40
MAPK14 Q16539 1/20 0.40
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
F10 P00742 3/20 0.38
F7 P08709 3/20 0.38
F3 P13726 2/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
F11 P03951 2/20 0.38

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
SCHEMBL3969303 0.81 ALOX5 (0.41) KMT2AGAAMEN1OPRD1OPRM1
SCHEMBL490529 0.80 PIK3CA (0.37) OPRD1CYP2D6KCNH2OPRM1HPGD
SCHEMBL489982 0.80 OPRD1 (0.53) KMT2AMEN1OPRD1CYP2D6KCNH2
SCHEMBL29457700 0.80 OPRD1 (0.53) KMT2AMEN1OPRD1CYP2D6KCNH2
SCHEMBL31270719 0.80 OPRD1 (0.53) KMT2AMEN1OPRD1CYP2D6KCNH2
SCHEMBL13627440 0.77 PDK2 (0.42) GAAOPRD1CYP2D6KCNH2OPRM1
SCHEMBL3961609 0.76 ALDH1A1 (0.45) KMT2AGAAHSD17B10OPRD1CYP2D6
SCHEMBL3970059 0.76 OPRD1 (0.40) KMT2AMEN1OPRD1CYP2D6KCNH2
SCHEMBL3961883 0.76 ALOX5 (0.41) KMT2AHSD17B10MEN1HPGDSMN1; SMN2
SCHEMBL4669628 0.75 SETD7 (0.46) OPRD1CYP2D6KCNH2OPRM1KDM4E

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 KMT2A 2064/4885GAA 2394/4885HSD17B10 1523/4885
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 KMT2A 2064/4885GAA 2394/4885HSD17B10 1523/4885
US-20050009860-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 KMT2A 2064/4885GAA 2394/4885HSD17B10 1523/4885
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 KMT2A 2064/4885GAA 2394/4885HSD17B10 1523/4885

“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.