SCHEMBL2857264

SCHEMBL2857264

Cc1ccc(F)cc1C(=O)NC(Cc1ccccc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PYGL P06737 6/20 0.46
KMT2A Q03164 1/20 0.45
PSMB5 P28074 3/20 0.43
REN P00797 1/20 0.43
POLB P06746 1/20 0.42
FAAH O00519 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ACKR3 P25106 1/20 0.41
PARP1 P09874 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL2857888 0.87 PSMB5 (0.52) PYGLPSMB5NPC1RAB9AACKR3
SCHEMBL2861438 0.83 PSMB5 (0.42) PYGLPSMB5CNR1CNR2
SCHEMBL5470915 0.82 DHODH (0.44) PYGLPSMB5CNR1CNR2NPC1
SCHEMBL2858587 0.79 PSMB5 (0.51) PYGLPSMB5POLBACKR3DHODH
SCHEMBL2856032 0.79 HPGD (0.51) KMT2AACKR3
SCHEMBL2861620 0.77 CTRB1 (0.51) NPC1RAB9A
SCHEMBL2853485 0.77 NPC1 (0.51) KMT2APOLBNPC1RAB9A
SCHEMBL2861403 0.77 L3MBTL1 (0.49) PYGLPSMB5NPC1RAB9AACKR3
SCHEMBL2856055 0.76 PTGES (0.45)
SCHEMBL5453401 0.76 ACKR3 (0.46) ACKR3

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 PYGL 4182/4885KMT2A 1396/4885PSMB5 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.