SCHEMBL13066481

SCHEMBL13066481

Cc1ccnc(NC(=O)C2(c3ccccc3)CCCCC2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
HTT P42858 1/20 0.68
LMNA P02545 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HDAC1 Q13547 1/20 0.54
RAB9A P51151 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HDAC4 P56524 3/20 0.52
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
MAPK8 P45983 1/20 0.49
GSK3A P49840 1/20 0.49
MAPK10 P53779 1/20 0.49
HIPK1 Q86Z02 1/20 0.49
RIOK2 Q9BVS4 1/20 0.49
SNRK Q9NRH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL11025030 0.99 ALDH1A1 (0.70) ALDH1A1HTTLMNANPSR1HDAC1
SCHEMBL18768744 0.83 ALDH1A1 (0.97) ALDH1A1HTTLMNANPSR1HDAC1
SCHEMBL22914434 0.83 ALDH1A1 (0.97) ALDH1A1HTTLMNANPSR1HDAC1
SCHEMBL11024079 0.81 ALDH1A1 (1.00) ALDH1A1HTTLMNANPSR1HDAC1
SCHEMBL11019415 0.81 ALDH1A1 (0.59) ALDH1A1HTTLMNANPSR1HDAC1
SCHEMBL13922562 0.80 ALDH1A1 (0.58) ALDH1A1LMNAHDAC1RAB9AMEN1
SCHEMBL25605223 0.76 ALDH1A1 (0.62) ALDH1A1LMNAHDAC1RAB9AMEN1
SCHEMBL11020045 0.75 ALDH1A1 (0.65) ALDH1A1HTTLMNANPSR1HDAC1
SCHEMBL11022776 0.75 HTT (0.65) ALDH1A1HTTLMNANPSR1HDAC1
SCHEMBL11885434 0.75 ALDH1A1 (0.60) ALDH1A1HTTLMNANPSR1HDAC1

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 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.