SCHEMBL2861728

SCHEMBL2861728

COc1ccc(CC(=O)NCC2(Cc3ccccc3)CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
NPC1 O15118 1/20 0.60
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 1/20 0.52
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
EPHX2 P34913 1/20 0.49
CNR2 P34972 1/20 0.49
HTT P42858 3/20 0.48
ADRB2 P07550 1/20 0.48
PLAU P00749 1/20 0.48
ELANE P08246 1/20 0.48
NPFFR1 Q9GZQ6 1/20 0.47
NPFFR2 Q9Y5X5 1/20 0.47
CYP2D6 P10635 1/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47

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 0.89 NPFFR1 (0.56) ALDH1A1KMT2AEPHX2HTTADRB2
SCHEMBL2875659 0.84 ALDH1A1 (0.57) ALDH1A1RAB9AEPHX2CNR2HTT
SCHEMBL2864930 0.82 NPFFR1 (0.52) MAPTNPC1ALDH1A1KMT2ARAB9A
SCHEMBL2867565 0.79 NPC1 (0.57) MAPTNPC1ALDH1A1KMT2ARAB9A
SCHEMBL6367600 0.77 ALDH1A1 (0.50) MAPTNPC1ALDH1A1KMT2ARAB9A
SCHEMBL2857681 0.77 ALDH1A1 (0.67) NPC1ALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL2863163 0.76 MEN1 (0.65) MAPTALDH1A1KMT2ARAB9AHTT
SCHEMBL9146667 0.76 OPRM1 (0.50) MAPTNPC1ALDH1A1KMT2ARAB9A
SCHEMBL5862101 0.76 NPC1 (1.00) MAPTNPC1ALDH1A1KMT2ARAB9A
SCHEMBL28497417 0.76 NPC1 (1.00) MAPTNPC1ALDH1A1KMT2ARAB9A

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 9 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
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 MAPT 3616/4885NPC1 675/4885ALDH1A1 4075/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 MAPT 3616/4885NPC1 675/4885ALDH1A1 4075/4885

“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.