SCHEMBL5103215

SCHEMBL5103215

O=C(N1CCC(=C2c3ccccc3Oc3cc(Br)ccc32)CC1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.46
PTAFR P25105 2/20 0.38
KCNH2 Q12809 1/20 0.38
AHR P35869 1/20 0.35
ABHD6 Q9BV23 3/20 0.35
ESR1 P03372 3/20 0.34
ESR2 Q92731 3/20 0.34
KDM1A O60341 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
ALK Q9UM73 1/20 0.33
RAB9A P51151 1/20 0.32

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
SCHEMBL5096886 0.83 ESR1 (0.36) SETD7PTAFRKCNH2ABHD6ESR1
SCHEMBL3965754 0.81 AHR (0.34) SETD7AHRESR1ESR2
SCHEMBL490256 0.78 SETD7 (0.76) SETD7KCNH2AHR
SCHEMBL5097386 0.78 PDK2 (0.52) SETD7RAB9A
SCHEMBL5097385 0.78 PDK2 (0.52) SETD7RAB9A
SCHEMBL5091095 0.71 PGR (0.38) KDM1A
SCHEMBL11573091 0.71 SETD7 (0.76) SETD7KCNH2AHR
SCHEMBL5091006 0.71 ESR1 (0.36) SETD7PTAFRKCNH2ABHD6ESR1
SCHEMBL5905649 0.70 SETD7 (0.60) SETD7PTAFRFNTAFNTB
SCHEMBL11574288 0.69 SETD7 (0.52) SETD7KCNH2AHR

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
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 US disclosed
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 US 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 SETD7 4197/4885PTAFR 1317/4885KCNH2 618/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 SETD7 4197/4885PTAFR 1317/4885KCNH2 618/4885

“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.