SCHEMBL5097385

SCHEMBL5097385

O=C(c1ccc2c(c1)Oc1ccccc1C2=C1CCN(C(=O)C(F)(F)F)CC1)N1CCC(O)C1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 16/20 0.52
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
HDAC4 P56524 1/20 0.39
SETD7 Q8WTS6 1/20 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
SCHEMBL5097386 1.00 PDK2 (0.52) PDK2RAB9ANPC1HDAC4SETD7
SCHEMBL5090924 0.85 PDK2 (0.48) PDK2RAB9ANPC1SETD7
SCHEMBL5090917 0.85 PDK2 (0.48) PDK2RAB9ANPC1SETD7
SCHEMBL5103215 0.78 SETD7 (0.46) RAB9ASETD7
SCHEMBL5197611 0.70 PDK2 (0.42) PDK2SETD7
SCHEMBL13128179 0.69 PDK2 (1.00) PDK2
SCHEMBL3969110 0.69 F10 (0.33) PDK2SETD7
SCHEMBL3961609 0.68 ALDH1A1 (0.45) PDK2RAB9ANPC1
SCHEMBL27706481 0.68 RAB9A (0.46) PDK2RAB9ANPC1HDAC4
SCHEMBL5091015 0.67 PDK2 (0.45) PDK2RAB9ANPC1HDAC4

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 4 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 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.