SCHEMBL5097109

SCHEMBL5097109

C=CCN1CCC(C2c3ccccc3Oc3cc(C(=O)N4CCC(O)C4)ccc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
PDK2 Q15119 2/20 0.41
KMT2A Q03164 2/20 0.39
ROCK2 O75116 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.36
OPRD1 P41143 1/20 0.35
HDAC4 P56524 1/20 0.35
CCR1 P32246 1/20 0.35
LOXL2 Q9Y4K0 3/20 0.35
LOX P28300 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ATR Q13535 1/20 0.35

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
SCHEMBL5097113 1.00 RAB9A (0.41) RAB9ANPC1PDK2KMT2AROCK2
SCHEMBL5097179 0.85 NPC1 (0.51) RAB9ANPC1PDK2KMT2AROCK2
SCHEMBL5097505 0.85 NPC1 (0.51) RAB9ANPC1PDK2KMT2AROCK2
SCHEMBL5091015 0.84 PDK2 (0.45) RAB9ANPC1PDK2KMT2AROCK2
SCHEMBL5091014 0.84 PDK2 (0.45) RAB9ANPC1PDK2KMT2AROCK2
SCHEMBL5103249 0.83 KMT2A (0.42) RAB9ANPC1PDK2KMT2AROCK2
SCHEMBL5103251 0.83 KMT2A (0.42) RAB9ANPC1PDK2KMT2AROCK2
SCHEMBL4504977 0.80 PDK2 (0.43) RAB9ANPC1PDK2KMT2AROCK2
SCHEMBL5103233 0.79 SIGMAR1 (0.46) CCR1
SCHEMBL27706481 0.79 RAB9A (0.46) RAB9ANPC1PDK2KMT2AROCK2

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 RAB9A 2741/4885NPC1 1561/4885PDK2 4153/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 RAB9A 2741/4885NPC1 1561/4885PDK2 4153/4885

“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.