SCHEMBL13066430

SCHEMBL13066430

Cc1ccc(C2(C(=O)NCc3ccccc3-c3ccccc3)CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 2/20 0.51
ERCC1 P07992 1/20 0.50
ERCC4 Q92889 1/20 0.50
LMNA P02545 4/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC4 P56524 2/20 0.46
ALDH1A1 P00352 2/20 0.44
ALPL P05186 1/20 0.44
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
P2RX7 Q99572 1/20 0.42
POLB P06746 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
MAPT P10636 1/20 0.41
HTR1E P28566 1/20 0.41
S1PR3 Q99500 1/20 0.41
CHRM2 P08172 1/20 0.41

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
SCHEMBL14491532 0.92 SMN1; SMN2 (0.60) SMN1; SMN2HTTERCC1ERCC4LMNA
SCHEMBL14491538 0.88 HDAC4 (0.51) SMN1; SMN2HTTERCC1ERCC4LMNA
SCHEMBL14491545 0.88 SMN1; SMN2 (0.51) SMN1; SMN2HTTERCC1ERCC4LMNA
SCHEMBL2857524 0.81 ALPL (0.64) SMN1; SMN2HTTERCC1ERCC4LMNA
SCHEMBL2861856 0.81 ERCC1 (0.68) SMN1; SMN2HTTERCC1ERCC4LMNA
SCHEMBL14491548 0.81 ERCC1 (0.50) SMN1; SMN2HTTERCC1ERCC4LMNA
SCHEMBL5347464 0.80 HDAC4 (0.54) SMN1; SMN2HTTERCC1ERCC4LMNA
SCHEMBL2863161 0.80 ERCC1 (0.58) SMN1; SMN2HTTERCC1ERCC4LMNA
SCHEMBL5353140 0.77 SMN1; SMN2 (0.51) SMN1; SMN2HTTERCC1ERCC4LMNA
SCHEMBL2858745 0.75 ERCC1 (0.60) SMN1; SMN2HTTERCC1ERCC4LMNA

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 5 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 SMN1; SMN2 4281/4885HTT 1708/4885ERCC1 3164/4885

“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.