SCHEMBL2861616

SCHEMBL2861616

O=C(NCC1(Cc2ccccc2)CCCCC1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
ADRB2 P07550 1/20 0.52
NPFFR1 Q9GZQ6 2/20 0.50
NPFFR2 Q9Y5X5 2/20 0.50
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
P2RX7 Q99572 1/20 0.48
SLC6A9 P48067 1/20 0.47
TP53 P04637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CTSK P43235 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44

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
SCHEMBL2853482 0.91 MEN1 (0.55) LMNAADRB2NPFFR1NPFFR2ALDH1A1
SCHEMBL5462309 0.87 TP53 (0.62) LMNANPFFR1NPFFR2ALDH1A1SMN1; SMN2
SCHEMBL2859748 0.85 GAA (0.48) LMNAALDH1A1SMN1; SMN2GAANPSR1
SCHEMBL5351381 0.85 ALDH1A1 (0.45) LMNAADRB2NPFFR1NPFFR2ALDH1A1
SCHEMBL2857681 0.84 ALDH1A1 (0.67) LMNAALDH1A1SMN1; SMN2GAATP53
SCHEMBL2867565 0.84 NPC1 (0.57) ALDH1A1GAANPSR1L3MBTL1NPC1
SCHEMBL6367594 0.84 LMNA (0.60) LMNAALDH1A1SMN1; SMN2GAANPSR1
SCHEMBL2861400 0.82 NPC1 (0.53) LMNAADRB2NPFFR1NPFFR2ALDH1A1
SCHEMBL2877082 0.82 NPFFR1 (0.56) LMNAADRB2NPFFR1NPFFR2ALDH1A1
SCHEMBL9146667 0.82 OPRM1 (0.50) NPFFR1NPFFR2ALDH1A1SMN1; SMN2GAA

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 LMNA 1535/4885ADRB2 799/4885NPFFR1 1718/4885

“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.