SCHEMBL2879245

SCHEMBL2879245

O=C(NCc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.65
ERCC1 P07992 1/20 0.65
ERCC4 Q92889 1/20 0.65
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2C9 P11712 1/20 0.53
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPK14 Q16539 1/20 0.50
MLYCD O95822 1/20 0.49
HDAC4 P56524 2/20 0.49
MEN1 O00255 1/20 0.48
PLA2G1B P04054 1/20 0.48
CYP1A2 P05177 1/20 0.48
GAA P10253 1/20 0.48
CYP2D6 P10635 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
SCHEMBL2858819 0.91 TACR1 (0.54) TACR1ERCC1ERCC4CYP3A4CYP2C19
SCHEMBL2858395 0.90 CYP3A4 (0.54) TACR1ERCC1ERCC4CYP3A4CYP2C19
SCHEMBL2861797 0.90 TACR1 (0.53) TACR1ERCC1ERCC4CYP3A4CYP2C19
SCHEMBL5349800 0.89 SMN1; SMN2 (0.55) TACR1ERCC1ERCC4CYP3A4CYP2C19
SCHEMBL2865854 0.88 TACR1 (0.64) TACR1ERCC1ERCC4LMNATSHR
SCHEMBL2864659 0.86 TACR1 (0.69) TACR1ERCC1ERCC4CYP3A4LMNA
SCHEMBL2861407 0.86 HDAC4 (0.51) TACR1ERCC1ERCC4CYP3A4CYP2C19
SCHEMBL5346968 0.84 ERCC1 (0.75) TACR1ERCC1ERCC4LMNATSHR
SCHEMBL14491527 0.83 ERCC1 (0.71) TACR1ERCC1ERCC4LMNATSHR
SCHEMBL2701005 0.82 TACR1 (0.56) TACR1ERCC1ERCC4MEN1PLA2G1B

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 TACR1 2425/4885ERCC1 3164/4885ERCC4 3218/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 TACR1 2425/4885ERCC1 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.