SCHEMBL2857524

SCHEMBL2857524

COc1ccccc1CNC(=O)C1(c2ccc(C)cc2)CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.64
NPC1 O15118 2/20 0.53
HPGD P15428 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
RAB9A P51151 1/20 0.48
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL2856031 0.92 L3MBTL1 (0.62) ALPLNPC1HPGDL3MBTL1MEN1
SCHEMBL5349816 0.89 MTNR1A (0.53) ALPLHPGDL3MBTL1ALDH1A1KDM4E
SCHEMBL13066430 0.81 SMN1; SMN2 (0.51) ALPLL3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL2473431 0.80 TACR1 (0.55) ALPLNPC1HPGDL3MBTL1MEN1
SCHEMBL2863161 0.80 ERCC1 (0.58) NPC1HPGDL3MBTL1MEN1KMT2A
SCHEMBL2865840 0.80 ALDH1A1 (0.70) NPC1HPGDL3MBTL1MEN1KMT2A
SCHEMBL2860469 0.80 ALDH1A1 (0.56) HPGDL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL2861856 0.79 ERCC1 (0.68) NPC1HPGDL3MBTL1MEN1KMT2A
SCHEMBL2861494 0.77 THRB (0.55) HPGDL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL2863340 0.77 KMT2A (0.55) HPGDMEN1KMT2AALDH1A1LMNA

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 9 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-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 ALPL 4609/4885NPC1 675/4885HPGD 3115/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 ALPL 4609/4885NPC1 675/4885HPGD 3115/4885

“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.