SCHEMBL5352829

SCHEMBL5352829

COc1ncccc1C(=O)NC(c1ccccc1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
CNR2 P34972 3/20 0.50
CNR1 P21554 2/20 0.50
MAPK8 P45983 1/20 0.50
C3AR1 Q16581 1/20 0.48
ACKR3 P25106 1/20 0.45
TACR3 P29371 1/20 0.45
KCNA5 P22460 1/20 0.44
SLC6A9 P48067 1/20 0.43

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
SCHEMBL3455507 0.81 MEN1 (0.62) MEN1ALDH1A1MAPK1KMT2AKCNA5
SCHEMBL23136225 0.78 MAPK8 (0.56) ALDH1A1GAAMAPTMAPK8
SCHEMBL17137884 0.74 ALDH1A1 (0.58) MEN1ALDH1A1MAPK1KMT2AGAA
SCHEMBL7648242 0.73 ACKR3 (0.51) MEN1ALDH1A1KMT2AGAAMAPT
SCHEMBL5948114 0.73 MAPT (0.66) MEN1ALDH1A1MAPK1KMT2AGAA
SCHEMBL16462431 0.73 NPC1 (0.49) MEN1ALDH1A1MAPK1KMT2AMAPT
SCHEMBL3373770 0.72 KMT2A (0.57) MEN1ALDH1A1MAPK1KMT2A
SCHEMBL7896983 0.72 SLC6A9 (0.74) SLC6A9
SCHEMBL25447772 0.72 MAPK8 (0.52) ALDH1A1KMT2AGAAMAPTMAPK8
SCHEMBL329764 0.71 ALDH1A1 (0.57) MEN1ALDH1A1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20050234106-A1 Cycloalkyl inhibitors of potassium channel function LLOYD JOHN 2005-10-20 US disclosed
EP-1507504-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-23 EP disclosed
US-20040072880-A1 Cycloalkyl inhibitors of potassium channel function ICAGEN, INC. 2004-04-15 US disclosed
WO-2003063797-A2 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-07 WO 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 (3 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 MEN1 4430/4885ALDH1A1 4075/4885MAPK1 1357/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 MEN1 4430/4885ALDH1A1 4075/4885MAPK1 1357/4885
US-20040072880-A1 Cycloalkyl inhibitors of potassium channel function KCNN1, KCNN2, KCNH2 MEN1 4044/4885ALDH1A1 2859/4885MAPK1 962/4885

“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.