SCHEMBL2857749

SCHEMBL2857749

O=C(Nc1nccc2ccccc12)C1(c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PKM P14618 1/20 0.48
ITGB1 P05556 1/20 0.48
ITGA4 P13612 1/20 0.48
ELOVL1 Q9BW60 2/20 0.47
HDAC1 Q13547 2/20 0.45
THRB P10828 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
FDPS P14324 1/20 0.44
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
GLS O94925 1/20 0.43
HDAC4 P56524 2/20 0.43
OPRD1 P41143 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL2861545 0.94 HTT (0.57) ALDH1A1HTTLMNANPSR1ITGB1
SCHEMBL13593943 0.91 HDAC1 (0.50) ALDH1A1HTTLMNANPSR1PKM
SCHEMBL2858307 0.81 P2RX7 (0.57) ALDH1A1HTTLMNANPSR1ITGB1
SCHEMBL13593944 0.81 ALDH1A1 (0.51) ALDH1A1HTTLMNAPKMKDM4E
SCHEMBL5366031 0.80 HTT (0.60) ALDH1A1HTTLMNANPSR1ITGB1
SCHEMBL2864732 0.78 P2RX7 (0.55) ALDH1A1HTTNPSR1ITGB1ITGA4
SCHEMBL7599559 0.78 FDPS (0.54) ALDH1A1LMNADRD2DRD4DRD3
SCHEMBL29825764 0.78 FDPS (0.54) ALDH1A1LMNADRD2DRD4DRD3
SCHEMBL5380631 0.75 FDPS (0.51) ALDH1A1LMNADRD2DRD4DRD3
SCHEMBL5874038 0.74 ADORA3 (0.62) HTTFDPS

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 8 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-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 ALDH1A1 4075/4885HTT 1708/4885LMNA 1535/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 ALDH1A1 4075/4885HTT 1708/4885LMNA 1535/4885

“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.