SCHEMBL2867587

SCHEMBL2867587

O=C(NCc1ccc(Cl)cc1)C1(c2ccc(Cl)cc2)CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
KDM4E B2RXH2 1/20 0.67
GAA P10253 1/20 0.67
HTT P42858 1/20 0.67
HDAC4 P56524 1/20 0.65
ERCC1 P07992 1/20 0.58
ERCC4 Q92889 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD11B1 P28845 5/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
EPHX1 P07099 1/20 0.54
HDAC1 Q13547 1/20 0.51
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL2861632 0.93 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2KDM4EGAAHTT
SCHEMBL2854860 0.93 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2KDM4EGAAHTT
SCHEMBL2861779 0.93 ERCC1 (0.68) ALDH1A1SMN1; SMN2KDM4EGAAHTT
SCHEMBL2859742 0.90 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2KDM4EGAAHTT
SCHEMBL5351676 0.85 HDAC4 (0.61) ALDH1A1SMN1; SMN2KDM4EGAAHTT
SCHEMBL17285705 0.85 HDAC4 (0.65) ALDH1A1SMN1; SMN2KDM4EGAAHTT
SCHEMBL2863161 0.85 ERCC1 (0.58) ALDH1A1SMN1; SMN2KDM4EGAAHTT
SCHEMBL2858456 0.85 ERCC1 (0.58) ALDH1A1SMN1; SMN2KDM4EGAAHTT
SCHEMBL4966175 0.84 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2KDM4EGAAHTT
SCHEMBL2855010 0.83 TRPV1 (0.56) ALDH1A1SMN1; SMN2KDM4EGAAHTT

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 ALDH1A1 4075/4885SMN1; SMN2 4281/4885KDM4E 820/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 ALDH1A1 4075/4885SMN1; SMN2 4281/4885KDM4E 820/4885

“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.