SCHEMBL2861856

SCHEMBL2861856

Cc1ccc(CNC(=O)C2(c3ccccc3)CCCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.68
ERCC4 Q92889 1/20 0.68
LMNA P02545 4/20 0.60
TSHR P16473 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.59
HTT P42858 1/20 0.59
NPSR1 Q6W5P4 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HDAC4 P56524 2/20 0.57
ALDH1A1 P00352 1/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
HPGD P15428 2/20 0.54
MEN1 O00255 1/20 0.54
TP53 P04637 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
OPRL1 P41146 2/20 0.53

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) ERCC1ERCC4LMNATSHRSMN1; SMN2
SCHEMBL5346968 0.91 ERCC1 (0.75) ERCC1ERCC4LMNATSHRSMN1; SMN2
SCHEMBL2857030 0.87 ERCC1 (0.70) ERCC1ERCC4LMNATSHRSMN1; SMN2
SCHEMBL2863340 0.86 KMT2A (0.55) ERCC1ERCC4LMNASMN1; SMN2ALDH1A1
SCHEMBL2861779 0.86 ERCC1 (0.68) ERCC1ERCC4LMNATSHRSMN1; SMN2
SCHEMBL2861090 0.86 ERCC1 (0.68) ERCC1ERCC4LMNATSHRSMN1; SMN2
SCHEMBL20210692 0.86 ERCC1 (0.68) ERCC1ERCC4LMNATSHRSMN1; SMN2
SCHEMBL2865840 0.84 ALDH1A1 (0.70) ERCC1ERCC4LMNASMN1; SMN2NPSR1
SCHEMBL2855014 0.84 ERCC1 (0.59) ERCC1ERCC4LMNATSHRSMN1; SMN2
SCHEMBL2865854 0.83 TACR1 (0.64) ERCC1ERCC4LMNATSHRSMN1; SMN2

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 ERCC1 3164/4885ERCC4 3218/4885LMNA 1535/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 ERCC1 3164/4885ERCC4 3218/4885LMNA 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.