SCHEMBL2855010

SCHEMBL2855010

O=C(NCc1ccc(Cl)cc1)C1(c2cccc(F)c2)CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.56
ERCC1 P07992 1/20 0.54
ERCC4 Q92889 1/20 0.54
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
TP53 P04637 1/20 0.50
P2RX7 Q99572 1/20 0.49
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
HDAC4 P56524 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
SCHEMBL2867652 0.91 ERCC1 (0.57) TRPV1ERCC1ERCC4ALDH1A1SMN1; SMN2
SCHEMBL5352479 0.88 PSEN1 (0.50) TRPV1ERCC1ERCC4SMN1; SMN2LMNA
SCHEMBL2860497 0.86 TRPV1 (0.54) TRPV1ERCC1ERCC4LMNAMEN1
SCHEMBL2861632 0.85 SMN1; SMN2 (0.62) ERCC1ERCC4ALDH1A1SMN1; SMN2MEN1
SCHEMBL2854860 0.85 SMN1; SMN2 (0.62) ERCC1ERCC4ALDH1A1SMN1; SMN2MEN1
SCHEMBL2861779 0.85 ERCC1 (0.68) ERCC1ERCC4ALDH1A1SMN1; SMN2LMNA
SCHEMBL2867587 0.83 ALDH1A1 (0.69) ERCC1ERCC4ALDH1A1SMN1; SMN2LMNA
SCHEMBL2861797 0.82 TACR1 (0.53) TRPV1ERCC1ERCC4SMN1; SMN2LMNA
SCHEMBL2861090 0.80 ERCC1 (0.68) ERCC1ERCC4ALDH1A1SMN1; SMN2LMNA
SCHEMBL2858831 0.79 HDAC4 (0.58) ERCC1ERCC4ALDH1A1SMN1; SMN2LMNA

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 TRPV1 94/4885ERCC1 3164/4885ERCC4 3218/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 TRPV1 94/4885ERCC1 3164/4885ERCC4 3218/4885

“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.