SCHEMBL2861732

SCHEMBL2861732

COc1ccc(CC(=O)NC(Cc2ccccc2)C2CCCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.62
CNR2 P34972 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
ALDH1A1 P00352 5/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
POLB P06746 1/20 0.48
PLAU P00749 1/20 0.48
ELANE P08246 1/20 0.48
HTT P42858 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL2877086 0.90 EPHX2 (0.61) EPHX2CNR2ALDH1A1NPC1RAB9A
SCHEMBL2875665 0.86 EPHX2 (0.53) EPHX2CNR2SIGMAR1ALDH1A1RAB9A
SCHEMBL2864934 0.83 TSHR (0.49) EPHX2MAPT
SCHEMBL2867569 0.81 MEN1 (0.54) ALDH1A1POLBLMNA
SCHEMBL2857688 0.79 MEN1 (0.66) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5520605 0.78 EPHX2 (0.57) EPHX2CNR2SIGMAR1ALDH1A1NPC1
SCHEMBL2863165 0.78 ALDH1A1 (0.54) EPHX2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3454750 0.77 EPHX2 (1.00) EPHX2SIGMAR1ALDH1A1NPC1RAB9A
SCHEMBL5049577 0.77 EPHX2 (1.00) EPHX2SIGMAR1ALDH1A1NPC1RAB9A
SCHEMBL2856032 0.77 HPGD (0.51) ALDH1A1LMNAHPGD

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 EPHX2 4474/4885CNR2 1504/4885SIGMAR1 2483/4885

“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.