SCHEMBL2875659

SCHEMBL2875659

O=C(Cc1ccc(F)cc1)NCC1(Cc2ccccc2)CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
RAB9A P51151 1/20 0.57
ADRB2 P07550 1/20 0.51
HTT P42858 1/20 0.51
NPFFR1 Q9GZQ6 4/20 0.50
NPFFR2 Q9Y5X5 4/20 0.50
MC4R P32245 1/20 0.47
LTA4H P09960 1/20 0.45
EPHX2 P34913 1/20 0.45
CNR2 P34972 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.44
OPRK1 P41145 1/20 0.44
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
KDM1A O60341 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
SRC P12931 1/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL2877082 0.92 NPFFR1 (0.56) ALDH1A1ADRB2HTTNPFFR1NPFFR2
SCHEMBL2861728 0.84 MAPT (0.60) ALDH1A1RAB9AADRB2HTTNPFFR1
SCHEMBL6367600 0.80 ALDH1A1 (0.50) ALDH1A1RAB9AADRB2HTTEPHX2
SCHEMBL2863163 0.79 MEN1 (0.65) ALDH1A1RAB9AHTTNPFFR1NPFFR2
SCHEMBL2857884 0.77 ALDH1A1 (0.44) ALDH1A1RAB9ANPFFR1NPFFR2GAA
SCHEMBL2864930 0.77 NPFFR1 (0.52) ALDH1A1RAB9AADRB2HTTNPFFR1
SCHEMBL2861400 0.76 NPC1 (0.53) ALDH1A1RAB9AADRB2NPFFR1NPFFR2
SCHEMBL2861616 0.76 LMNA (0.58) ALDH1A1RAB9AADRB2NPFFR1NPFFR2
SCHEMBL9146667 0.76 OPRM1 (0.50) ALDH1A1RAB9ANPFFR1NPFFR2GAA
SCHEMBL2857262 0.75 P2RX7 (0.44) ALDH1A1HTTNPFFR1NPFFR2LMNA

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 7 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
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

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 ALDH1A1 4075/4885RAB9A 2415/4885ADRB2 799/4885

“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.