SCHEMBL2863230

SCHEMBL2863230

O=C(NCc1ccc(F)cc1)C1(c2ccccc2F)CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.61
OPRL1 P41146 4/20 0.55
ERCC1 P07992 1/20 0.50
ERCC4 Q92889 1/20 0.50
RAB9A P51151 3/20 0.49
POLB P06746 2/20 0.49
NPC1 O15118 1/20 0.49
MAOB P27338 1/20 0.49
LMNA P02545 1/20 0.48
P2RX7 Q99572 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL2858831 0.90 HDAC4 (0.58) HDAC4OPRL1ERCC1ERCC4POLB
SCHEMBL2863174 0.87 HDAC4 (0.56) HDAC4OPRL1ERCC1ERCC4LMNA
SCHEMBL2861090 0.85 ERCC1 (0.68) HDAC4OPRL1ERCC1ERCC4RAB9A
SCHEMBL2858456 0.83 ERCC1 (0.58) OPRL1ERCC1ERCC4RAB9APOLB
SCHEMBL2861407 0.81 HDAC4 (0.51) HDAC4OPRL1ERCC1ERCC4LMNA
SCHEMBL2867652 0.79 ERCC1 (0.57) HDAC4OPRL1ERCC1ERCC4RAB9A
SCHEMBL5347464 0.79 HDAC4 (0.54) HDAC4OPRL1ERCC1ERCC4RAB9A
SCHEMBL14516606 0.78 HDAC4 (0.53) HDAC4OPRL1RAB9ANPC1LMNA
SCHEMBL5357953 0.77 HDAC4 (0.59) HDAC4OPRL1RAB9ANPC1LMNA
SCHEMBL2863340 0.77 KMT2A (0.55) OPRL1ERCC1ERCC4RAB9APOLB

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 7 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-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 HDAC4 1442/4885OPRL1 1213/4885ERCC1 3164/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 HDAC4 1442/4885OPRL1 1213/4885ERCC1 3164/4885

“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.