SCHEMBL2861663

SCHEMBL2861663

c1ccc(C2(CNc3nccc4ccccc34)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
USP30 Q70CQ3 1/20 0.43
FDPS P14324 1/20 0.40
SLC6A4 P31645 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
DRD2 P14416 4/20 0.37
DRD3 P35462 4/20 0.37
ADRA1A P35348 3/20 0.37
HRH4 Q9H3N8 3/20 0.37
KCNH2 Q12809 1/20 0.37
DRD4 P21917 1/20 0.37
CYP2A6 P11509 1/20 0.37
F12 P00748 1/20 0.37
PLAU P00749 1/20 0.37
NCF1 P14598 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37

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
SCHEMBL2867705 0.93 KDM4E (0.56) KDM4EUSP30SLC6A4LMNAMEN1
SCHEMBL2469907 0.91 KDM4E (0.44) KDM4EUSP30FDPSSLC6A4DRD2
SCHEMBL13067017 0.90 KDM4E (0.41) KDM4EUSP30FDPSSLC6A4MAOA
SCHEMBL13066448 0.90 KCNA3 (0.44) KDM4EUSP30FDPSSLC6A4DRD2
SCHEMBL14491679 0.89 USP30 (0.42) KDM4EUSP30FDPSSLC6A4DRD2
SCHEMBL14491593 0.89 SLC6A4 (0.44) KDM4EUSP30FDPSSLC6A4DRD2
SCHEMBL13066976 0.89 SLC6A4 (0.44) KDM4EUSP30FDPSSLC6A4DRD2
SCHEMBL2471609 0.87 KDM4E (0.43) KDM4EUSP30DRD2DRD3ADRA1A
SCHEMBL10254911 0.86 DRD2 (0.51) KDM4EUSP30DRD2DRD3ADRA1A
SCHEMBL2467172 0.81 SLC6A9 (0.41) KDM4EUSP30DRD2DRD3ADRA1A

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 9 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
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-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
US-20050234106-A1 Cycloalkyl inhibitors of potassium channel function LLOYD JOHN 2005-10-20 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 (2 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-20050234106-A1 Cycloalkyl inhibitors of potassium channel function KCNJ2, KCNN3, KCNQ5 KDM4E 820/4885USP30 835/4885FDPS 3194/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 KDM4E 820/4885USP30 835/4885FDPS 3194/4885

“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.