SCHEMBL13180673

SCHEMBL13180673

CCC(C)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2cc(F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
XIAP P98170 1/20 0.45
BIRC2 Q13490 1/20 0.45
P2RY1 P47900 1/20 0.43
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
RORC P51449 2/20 0.42
TACR1 P25103 1/20 0.41
KDM1A O60341 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
ENPP2 Q13822 2/20 0.40
ATXN2 Q99700 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40

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 0.86 HDAC1 (0.50) HDAC1HDAC6HDAC8XIAPBIRC2
SCHEMBL2625791 0.86 HDAC1 (0.50) HDAC1HDAC6HDAC8XIAPBIRC2
SCHEMBL2632889 0.85 HDAC1 (0.54) HDAC1HDAC6HDAC8XIAPBIRC2
SCHEMBL29661999 0.81 TACR1 (0.57) TACR1
SCHEMBL8067334 0.81 TACR1 (0.57) TACR1
SCHEMBL20955202 0.80 XIAP (0.46) HDAC1HDAC6HDAC8XIAPBIRC2
SCHEMBL14624360 0.80 HDAC1 (0.59) HDAC1HDAC6HDAC8XIAPBIRC2
SCHEMBL29661957 0.78 RORC (0.46) HDAC1HDAC6HDAC8XIAPBIRC2
SCHEMBL26969702 0.76 GNRHR (0.47) HDAC1HDAC6HDAC8P2RY1RORC
SCHEMBL4975838 0.75 HDAC1 (0.47) HDAC1HDAC6HDAC8XIAPBIRC2

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-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 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-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 HDAC1 623/4885HDAC6 238/4885HDAC8 867/4885

“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.