SCHEMBL2863340

SCHEMBL2863340

Cc1ccc(C2(C(=O)NCc3ccc(F)cc3)CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
ERCC1 P07992 1/20 0.52
ERCC4 Q92889 1/20 0.52
OPRL1 P41146 2/20 0.52
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
GAA P10253 1/20 0.50
KCNH2 Q12809 1/20 0.49
CACNA1I Q9P0X4 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
POLB P06746 2/20 0.49
TP53 P04637 2/20 0.49
RAB9A P51151 2/20 0.48
HPGD P15428 1/20 0.48
HSD11B1 P28845 1/20 0.47
HDAC1 Q13547 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL2863161 0.93 ERCC1 (0.58) KMT2ALMNAERCC1ERCC4ALDH1A1
SCHEMBL2858456 0.93 ERCC1 (0.58) KMT2ALMNAERCC1ERCC4OPRL1
SCHEMBL2854860 0.87 SMN1; SMN2 (0.62) KMT2AERCC1ERCC4OPRL1ALDH1A1
SCHEMBL2861632 0.87 SMN1; SMN2 (0.62) KMT2AERCC1ERCC4OPRL1ALDH1A1
SCHEMBL2861856 0.86 ERCC1 (0.68) KMT2ALMNAERCC1ERCC4OPRL1
SCHEMBL2861090 0.86 ERCC1 (0.68) KMT2ALMNAERCC1ERCC4OPRL1
SCHEMBL2870236 0.85 TACR1 (0.51) ERCC1ERCC4OPRL1ALDH1A1KCNH2
SCHEMBL2865840 0.85 ALDH1A1 (0.70) KMT2ALMNAERCC1ERCC4ALDH1A1
SCHEMBL2855014 0.82 ERCC1 (0.59) KMT2ALMNAERCC1ERCC4ALDH1A1
SCHEMBL4927359 0.82 HDAC1 (0.54) LMNAHPGDHDAC1

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 6 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-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 KMT2A 1396/4885LMNA 1535/4885ERCC1 3164/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 KMT2A 1396/4885LMNA 1535/4885ERCC1 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.