SCHEMBL2865840

SCHEMBL2865840

COc1ccc(CNC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
KDM4E B2RXH2 2/20 0.60
HPGD P15428 1/20 0.60
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPK1 P28482 1/20 0.52
TP53 P04637 1/20 0.52
OPRD1 P41143 1/20 0.51
KCNH2 Q12809 1/20 0.51
ERCC1 P07992 1/20 0.50
ERCC4 Q92889 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL2863161 0.91 ERCC1 (0.58) ALDH1A1SMN1; SMN2KDM4EHPGDLMNA
SCHEMBL2861494 0.87 THRB (0.55) ALDH1A1SMN1; SMN2KDM4EHPGDMAPT
SCHEMBL2863340 0.85 KMT2A (0.55) ALDH1A1SMN1; SMN2HPGDLMNARAB9A
SCHEMBL2861856 0.84 ERCC1 (0.68) ALDH1A1SMN1; SMN2HPGDLMNANPSR1
SCHEMBL2855014 0.80 ERCC1 (0.59) ALDH1A1SMN1; SMN2KDM4EHPGDLMNA
SCHEMBL4927359 0.80 HDAC1 (0.54) KDM4EHPGDLMNAMAPT
SCHEMBL2857524 0.80 ALPL (0.64) ALDH1A1SMN1; SMN2KDM4EHPGDLMNA
SCHEMBL22026911 0.78 KDM4E (0.61) ALDH1A1SMN1; SMN2KDM4EHPGDLMNA
SCHEMBL14491560 0.78 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EHPGDLMNANPSR1
SCHEMBL2858456 0.77 ERCC1 (0.58) ALDH1A1SMN1; SMN2KDM4ELMNARAB9A

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
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
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-20050234106-A1 Cycloalkyl inhibitors of potassium channel function LLOYD JOHN 2005-10-20 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-20050234106-A1 Cycloalkyl inhibitors of potassium channel function KCNJ2, KCNN3, KCNQ5 ALDH1A1 4075/4885SMN1; SMN2 4281/4885KDM4E 820/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 ALDH1A1 4075/4885SMN1; SMN2 4281/4885KDM4E 820/4885

“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.