SCHEMBL13066976

SCHEMBL13066976

O[C@H]1CC[C@](CNc2nccc3ccccc23)(c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.44
SLC6A3 Q01959 5/20 0.44
USP30 Q70CQ3 1/20 0.42
KDM4E B2RXH2 1/20 0.42
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
DRD4 P21917 1/20 0.39
FDPS P14324 1/20 0.37
KCNA5 P22460 2/20 0.36
HTR3A P46098 1/20 0.35
RAB9A P51151 1/20 0.34
ACHE P22303 1/20 0.34
P2RX7 Q99572 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL14491593 1.00 SLC6A4 (0.44) SLC6A4SLC6A3USP30KDM4EDRD2
SCHEMBL2861663 0.89 KDM4E (0.49) SLC6A4USP30KDM4EDRD2DRD3
SCHEMBL14491679 0.88 USP30 (0.42) SLC6A4USP30KDM4EDRD2DRD3
SCHEMBL2867705 0.85 KDM4E (0.56) SLC6A4SLC6A3USP30KDM4E
SCHEMBL2469907 0.83 KDM4E (0.44) SLC6A4USP30KDM4EDRD2DRD3
SCHEMBL13066448 0.82 KCNA3 (0.44) SLC6A4SLC6A3USP30KDM4EDRD2
SCHEMBL13067017 0.80 KDM4E (0.41) SLC6A4SLC6A3USP30KDM4EDRD2
SCHEMBL13067024 0.80 KCNA5 (0.60) KCNA5
SCHEMBL5354274 0.80 KCNA5 (0.60) KCNA5
SCHEMBL13066980 0.80 KCNA5 (0.60) KCNA5

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 SLC6A4 1950/4885SLC6A3 2504/4885USP30 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.