SCHEMBL2861545

SCHEMBL2861545

O=C(Nc1nccc2ccccc12)C1(c2ccccc2)CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
ITGB1 P05556 1/20 0.52
ITGA4 P13612 1/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
AKR1C1 Q04828 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 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
SCHEMBL2857749 0.94 ALDH1A1 (0.51) HTTALDH1A1LMNANPSR1ITGB1
SCHEMBL13593943 0.88 HDAC1 (0.50) HTTALDH1A1LMNANPSR1ITGB1
SCHEMBL2858307 0.88 P2RX7 (0.57) HTTALDH1A1LMNANPSR1ITGB1
SCHEMBL5366031 0.86 HTT (0.60) HTTALDH1A1LMNANPSR1ITGB1
SCHEMBL2864732 0.84 P2RX7 (0.55) HTTALDH1A1NPSR1ITGB1ITGA4
SCHEMBL14491600 0.80 ALDH1A1 (0.54) HTTALDH1A1LMNANPSR1ITGB1
SCHEMBL14491597 0.79 L3MBTL1 (0.60) HTTALDH1A1LMNANPSR1HDAC4
SCHEMBL11022776 0.78 HTT (0.65) HTTALDH1A1LMNANPSR1HDAC4
SCHEMBL13593944 0.78 ALDH1A1 (0.51) HTTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL14491599 0.77 HDAC4 (0.51) HTTALDH1A1LMNANPSR1HDAC4

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 10 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-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
EP-1507504-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-23 EP disclosed
US-20040072880-A1 Cycloalkyl inhibitors of potassium channel function ICAGEN, INC. 2004-04-15 US disclosed
WO-2003063797-A2 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-07 WO 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 (3 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 HTT 1708/4885ALDH1A1 4075/4885LMNA 1535/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 HTT 1708/4885ALDH1A1 4075/4885LMNA 1535/4885
US-20040072880-A1 Cycloalkyl inhibitors of potassium channel function KCNN1, KCNN2, KCNH2 HTT 2412/4885ALDH1A1 2859/4885LMNA 1228/4885

“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.