SCHEMBL2864934

SCHEMBL2864934

COCC(=O)NC(Cc1ccccc1)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
MAPT P10636 1/20 0.46
EPHX2 P34913 3/20 0.46
PSMB5 P28074 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MMP1 P03956 1/20 0.43
FCER2 P06734 1/20 0.43
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 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
SCHEMBL2877086 0.84 EPHX2 (0.61) EPHX2PSMB5MMP1FCER2MME
SCHEMBL2861732 0.83 EPHX2 (0.62) MAPTEPHX2
SCHEMBL2863165 0.82 ALDH1A1 (0.54) TSHREPHX2
SCHEMBL2861620 0.79 CTRB1 (0.51) EPHX2MMEACECPA1ACE2
SCHEMBL2856032 0.78 HPGD (0.51) TDP1KMT2A
SCHEMBL2875665 0.78 EPHX2 (0.53) EPHX2PSMB5TDP1KMT2A
SCHEMBL2867569 0.77 MEN1 (0.54) KMT2A
SCHEMBL2853485 0.76 NPC1 (0.51) KMT2A
SCHEMBL2857688 0.76 MEN1 (0.66) TSHRKMT2A
SCHEMBL3372476 0.74 LMNA (0.49) TDP1

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 TSHR 2501/4885MAPT 3616/4885EPHX2 4474/4885

“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.