SCHEMBL2632889

SCHEMBL2632889

CCN1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2cc(F)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
XIAP P98170 1/20 0.45
BIRC2 Q13490 1/20 0.45
P2RY1 P47900 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
RORC P51449 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TMEM97 Q5BJF2 6/20 0.43
SIGMAR1 Q99720 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42

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
SCHEMBL4974614 0.89 HDAC1 (0.50) HDAC1HDAC8HDAC6XIAPBIRC2
SCHEMBL2625791 0.89 HDAC1 (0.50) HDAC1HDAC8HDAC6XIAPBIRC2
SCHEMBL13228096 0.88 HDAC1 (0.68) HDAC1HDAC8HDAC6XIAPBIRC2
SCHEMBL13180673 0.85 HDAC1 (0.45) HDAC1HDAC8HDAC6XIAPBIRC2
SCHEMBL8067334 0.85 TACR1 (0.57) TACR1
SCHEMBL29661999 0.85 TACR1 (0.57) TACR1
SCHEMBL20955202 0.83 XIAP (0.46) HDAC1HDAC8HDAC6XIAPBIRC2
SCHEMBL29661957 0.81 RORC (0.46) HDAC1HDAC8HDAC6XIAPBIRC2
SCHEMBL4975838 0.78 HDAC1 (0.47) HDAC1HDAC8HDAC6XIAPBIRC2
SCHEMBL4975832 0.78 HDAC1 (0.47) HDAC1HDAC8HDAC6XIAPBIRC2

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
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 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-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 HDAC1 595/4885HDAC8 485/4885HDAC6 185/4885

“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.