SCHEMBL2854860

SCHEMBL2854860

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

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
ALDH1A1 P00352 1/20 0.62
KDM4E B2RXH2 1/20 0.60
GAA P10253 1/20 0.60
HTT P42858 1/20 0.60
HDAC4 P56524 1/20 0.57
RAB9A P51151 3/20 0.56
POLB P06746 2/20 0.56
ERCC1 P07992 1/20 0.52
ERCC4 Q92889 1/20 0.52
FFAR2 O15552 2/20 0.51
HSD11B1 P28845 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
OPRL1 P41146 2/20 0.49
TRPA1 O75762 1/20 0.49
AVPR1A P37288 1/20 0.48
NPC1 O15118 1/20 0.48
EPHX1 P07099 1/20 0.48

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 1.00 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1KDM4EGAAHTT
SCHEMBL2867587 0.93 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1KDM4EGAAHTT
SCHEMBL2858456 0.93 ERCC1 (0.58) SMN1; SMN2ALDH1A1KDM4EGAAHTT
SCHEMBL5349607 0.87 HDAC4 (0.55) SMN1; SMN2ALDH1A1KDM4EGAAHTT
SCHEMBL2863340 0.87 KMT2A (0.55) SMN1; SMN2ALDH1A1GAARAB9APOLB
SCHEMBL2861090 0.86 ERCC1 (0.68) SMN1; SMN2ALDH1A1HTTHDAC4RAB9A
SCHEMBL2861779 0.86 ERCC1 (0.68) SMN1; SMN2ALDH1A1KDM4EGAAHTT
SCHEMBL2859742 0.86 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1KDM4EGAAHTT
SCHEMBL2855010 0.85 TRPV1 (0.56) SMN1; SMN2ALDH1A1KDM4EGAAHTT
SCHEMBL2870236 0.85 TACR1 (0.51) SMN1; SMN2ALDH1A1RAB9APOLBERCC1

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