SCHEMBL2859751

SCHEMBL2859751

N#Cc1cccc(C(=O)NC(Cc2ccccc2)C2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.49
CTSD P07339 2/20 0.49
BACE1 P56817 2/20 0.49
BACE2 Q9Y5Z0 2/20 0.49
PIN1 Q13526 1/20 0.48
RORC P51449 3/20 0.47
EPHX1 P07099 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
GPR139 Q6DWJ6 1/20 0.46
S1PR3 Q99500 1/20 0.46
ACACB O00763 1/20 0.46
GRM5 P41594 2/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC2A1 P11166 1/20 0.44

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
SCHEMBL2861620 0.85 CTRB1 (0.51) PIN1ALDH1A1
SCHEMBL5462314 0.83 NPC1 (0.56) ACKR3GRM5
SCHEMBL2857688 0.83 MEN1 (0.66) ACKR3CTSDBACE1BACE2GPR139
SCHEMBL5453401 0.79 ACKR3 (0.46) ACKR3CTSDBACE1BACE2PIN1
SCHEMBL5127227 0.79 MME (0.43) ACKR3PIN1RORCEPHX1GPR139
SCHEMBL2867569 0.78 MEN1 (0.54) ACKR3CTSDBACE1BACE2MEN1
SCHEMBL2853485 0.77 NPC1 (0.51) BACE1S1PR3MEN1ALDH1A1KMT2A
SCHEMBL26407280 0.75 RAB9A (0.69) ACKR3GRM5
SCHEMBL2861403 0.75 L3MBTL1 (0.49) ACKR3EPHX1ALDH1A1
SCHEMBL23279644 0.73 GPR132 (0.58) PIN1

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 ACKR3 1451/4885CTSD 3981/4885BACE1 2120/4885

“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.