SCHEMBL2863174

SCHEMBL2863174

O=C(NCc1ccc(C(F)(F)F)cc1)C1(c2ccccc2F)CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.56
OPRL1 P41146 2/20 0.54
TACR1 P25103 1/20 0.47
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46
LMNA P02545 1/20 0.45
MAPK14 Q16539 1/20 0.44
GAA P10253 1/20 0.44
P2RX7 Q99572 1/20 0.44
MTOR P42345 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
KIF11 P52732 1/20 0.41
NAMPT P43490 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
SCHEMBL2861407 0.89 HDAC4 (0.51) HDAC4OPRL1TACR1ERCC1ERCC4
SCHEMBL2863230 0.87 HDAC4 (0.61) HDAC4OPRL1ERCC1ERCC4LMNA
SCHEMBL2858831 0.85 HDAC4 (0.58) HDAC4OPRL1ERCC1ERCC4LMNA
SCHEMBL2865854 0.85 TACR1 (0.64) HDAC4OPRL1TACR1ERCC1ERCC4
SCHEMBL2870236 0.81 TACR1 (0.51) OPRL1TACR1ERCC1ERCC4MTOR
SCHEMBL2860497 0.80 TRPV1 (0.54) OPRL1TACR1ERCC1ERCC4LMNA
SCHEMBL5355699 0.80 HDAC4 (0.49) HDAC4OPRL1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL2859742 0.78 SMN1; SMN2 (0.58) HDAC4OPRL1TACR1ERCC1ERCC4
SCHEMBL14516605 0.75 HDAC4 (0.52) HDAC4OPRL1LMNAP2RX7ALDH1A1
SCHEMBL5347464 0.75 HDAC4 (0.54) HDAC4OPRL1ERCC1ERCC4LMNA

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 6 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-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 HDAC4 1442/4885OPRL1 1213/4885TACR1 2425/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 HDAC4 1442/4885OPRL1 1213/4885TACR1 2425/4885

“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.