SCHEMBL5091014

SCHEMBL5091014

O=C(c1ccc2c(c1)Oc1ccccc1C2C1CCNCC1)N1CCC(O)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.45
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.39
HDAC4 P56524 1/20 0.39
ROCK2 O75116 2/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE4B Q07343 1/20 0.37
GRM5 P41594 1/20 0.37
LOX P28300 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
ATR Q13535 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL5091015 1.00 PDK2 (0.45) PDK2RAB9ANPC1HPGDKMT2A
SCHEMBL4504977 0.87 PDK2 (0.43) PDK2RAB9ANPC1HPGDKMT2A
SCHEMBL5097109 0.84 RAB9A (0.41) PDK2RAB9ANPC1HPGDKMT2A
SCHEMBL5097113 0.84 RAB9A (0.41) PDK2RAB9ANPC1HPGDKMT2A
SCHEMBL5097179 0.83 NPC1 (0.51) PDK2RAB9ANPC1KMT2AROCK2
SCHEMBL5097505 0.83 NPC1 (0.51) PDK2RAB9ANPC1KMT2AROCK2
SCHEMBL27706481 0.82 RAB9A (0.46) PDK2RAB9ANPC1HPGDKMT2A
SCHEMBL13998576 0.81 RAB9A (0.41) PDK2RAB9ANPC1HPGDKMT2A
SCHEMBL5103249 0.81 KMT2A (0.42) PDK2RAB9ANPC1KMT2AROCK2
SCHEMBL5103251 0.81 KMT2A (0.42) PDK2RAB9ANPC1KMT2AROCK2

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-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 US claimed
EP-1836196-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 EP claimed
WO-2006069275-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO claimed
US-20060135522-A1 Tricyclic delta-opioid modulators CARSON JOHN R 2006-06-22 US claimed
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 US disclosed
EP-1836196-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 EP disclosed
WO-2006069275-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO disclosed
US-20060135522-A1 Tricyclic delta-opioid modulators CARSON JOHN R 2006-06-22 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 (2 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-20060135522-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 PDK2 4153/4885RAB9A 2741/4885NPC1 1561/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 PDK2 4153/4885RAB9A 2741/4885NPC1 1561/4885

“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.