SCHEMBL2861403

SCHEMBL2861403

O=C(NC(Cc1ccccc1)C1CCCCC1)c1c(F)cccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
PSMB1 P20618 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB2 P49721 1/20 0.48
ITGA4 P13612 2/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ITGB1 P05556 1/20 0.45
ACKR3 P25106 1/20 0.44
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43
ITGAL P20701 1/20 0.43
ALDH1A1 P00352 1/20 0.43
EPHX2 P34913 2/20 0.43
CTSL P07711 1/20 0.43
PYGL P06737 1/20 0.42
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42

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
SCHEMBL5468240 0.90 ITGA4 (0.54) L3MBTL1PSMB1PSMB5PSMB2ITGA4
SCHEMBL2858587 0.87 PSMB5 (0.51) PSMB5ITGA4ITGB1ACKR3ITGB2
SCHEMBL5470915 0.83 DHODH (0.44) PSMB5NPC1RAB9AALDH1A1EPHX2
SCHEMBL2861620 0.83 CTRB1 (0.51) NPC1RAB9AALDH1A1EPHX2CTSL
SCHEMBL5453401 0.82 ACKR3 (0.46) ACKR3ALDH1A1CTSL
SCHEMBL2857888 0.81 PSMB5 (0.52) L3MBTL1PSMB5NPC1RAB9AACKR3
SCHEMBL2877086 0.78 EPHX2 (0.61) PSMB5NPC1RAB9AALDH1A1EPHX2
SCHEMBL2853485 0.78 NPC1 (0.51) NPC1RAB9AALDH1A1HPGD
SCHEMBL3281866 0.78 EPHX2 (0.54) NPC1RAB9AEPHX2MMEACE
SCHEMBL2856055 0.77 PTGES (0.45)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253328-A1 Cycloalkyl inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-11-24 EP disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 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 (1 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-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 L3MBTL1 1226/4885PSMB1 2125/4885PSMB5 808/4885

“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.