SCHEMBL13066448

SCHEMBL13066448

O=C1CCC(CNc2nccc3ccccc23)(c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 5/20 0.44
KDM4E B2RXH2 1/20 0.43
USP30 Q70CQ3 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
FDPS P14324 1/20 0.38
DRD2 P14416 3/20 0.35
DRD3 P35462 3/20 0.35
DRD4 P21917 1/20 0.35
MAPK8 P45983 1/20 0.35
RAB9A P51151 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 1/20 0.34
ADRA1A P35348 2/20 0.34
HRH4 Q9H3N8 2/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL2861663 0.90 KDM4E (0.49) KDM4EUSP30MEN1KMT2AFDPS
SCHEMBL2867705 0.86 KDM4E (0.56) KDM4EUSP30MEN1KMT2ASLC6A4
SCHEMBL2469907 0.84 KDM4E (0.44) KDM4EUSP30FDPSDRD2DRD3
SCHEMBL13066976 0.82 SLC6A4 (0.44) KDM4EUSP30FDPSDRD2DRD3
SCHEMBL14491593 0.82 SLC6A4 (0.44) KDM4EUSP30FDPSDRD2DRD3
SCHEMBL14491679 0.82 USP30 (0.42) KDM4EUSP30FDPSDRD2DRD3
SCHEMBL13067017 0.81 KDM4E (0.41) KDM4EUSP30FDPSDRD2DRD3
SCHEMBL2471609 0.80 KDM4E (0.43) KDM4EUSP30MEN1KMT2ADRD2
SCHEMBL10254911 0.79 DRD2 (0.51) KDM4EUSP30DRD2DRD3DRD4
SCHEMBL2467172 0.77 SLC6A9 (0.41) KDM4EUSP30MEN1KMT2ADRD2

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
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
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

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 KCNA3 18/4885KDM4E 820/4885USP30 835/4885

“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.