SCHEMBL5358045

SCHEMBL5358045

Cc1ccc(C2(C(=O)NCCc3ccc(Br)cc3)CCCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
HDAC1 Q13547 2/20 0.47
CHRM5 P08912 1/20 0.45
CHRM3 P20309 1/20 0.45
IDO1 P14902 1/20 0.44
MAPT P10636 1/20 0.44
HTR1E P28566 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
S1PR3 Q99500 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC4 P56524 3/20 0.43
HRH3 Q9Y5N1 2/20 0.42
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
TRPA1 O75762 1/20 0.41

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
SCHEMBL14491560 0.94 SMN1; SMN2 (0.54) SMN1; SMN2HTTCHRM5CHRM3IDO1
SCHEMBL5357137 0.89 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2HTTCHRM5CHRM3
SCHEMBL5363274 0.88 HDAC4 (0.55) ALDH1A1SMN1; SMN2HTTMAPTNPSR1
SCHEMBL5365092 0.84 SMN1; SMN2 (0.47) SMN1; SMN2HTTCHRM5CHRM3IDO1
SCHEMBL14491558 0.83 HDAC4 (0.51) SMN1; SMN2HTTHDAC1CHRM5CHRM3
SCHEMBL5351946 0.82 CHRM2 (0.50) ALDH1A1SMN1; SMN2HTTCHRM5CHRM3
SCHEMBL14491561 0.81 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2HTTCHRM5CHRM3
SCHEMBL13067108 0.81 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2HTTCHRM5CHRM3
SCHEMBL5351676 0.80 HDAC4 (0.61) ALDH1A1SMN1; SMN2HTTHDAC1MAPT
SCHEMBL14516609 0.80 OPRM1 (0.49) ALDH1A1SMN1; SMN2HTTIDO1HDAC4

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 5 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-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

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 ALDH1A1 4075/4885SMN1; SMN2 4281/4885HTT 1708/4885

“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.