SCHEMBL5355156

SCHEMBL5355156

O=C(NCCOc1ccccc1)C1(c2cccc(F)c2)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 2/20 0.52
CHRM2 P08172 1/20 0.49
P2RX7 Q99572 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PKM P14618 1/20 0.46
EPHX2 P34913 1/20 0.46
TRPV1 Q8NER1 2/20 0.46
FAAH O00519 1/20 0.46
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
HDAC4 P56524 1/20 0.44
MEN1 O00255 1/20 0.43
TP53 P04637 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
SCHEMBL14491536 0.88 SMN1; SMN2 (0.66) SMN1; SMN2HTTCHRM2P2RX7NPC1
SCHEMBL14491546 0.87 SMN1; SMN2 (0.55) SMN1; SMN2HTTCHRM2P2RX7NPC1
SCHEMBL14491556 0.81 HDAC4 (0.56) SMN1; SMN2HTTCHRM2P2RX7NPC1
SCHEMBL14491540 0.81 SMN1; SMN2 (0.55) SMN1; SMN2HTTCHRM2NPC1RAB9A
SCHEMBL14491569 0.81 SMN1; SMN2 (0.55) SMN1; SMN2HTTCHRM2NPC1RAB9A
SCHEMBL14491547 0.80 SMN1; SMN2 (0.52) SMN1; SMN2HTTP2RX7RAB9ATRPV1
SCHEMBL5356509 0.79 SMN1; SMN2 (0.50) SMN1; SMN2HTTCHRM2P2RX7NPC1
SCHEMBL5352479 0.76 PSEN1 (0.50) SMN1; SMN2HTTP2RX7EPHX2TRPV1
SCHEMBL2867652 0.76 ERCC1 (0.57) SMN1; SMN2HTTP2RX7RAB9ATRPV1
SCHEMBL14491548 0.75 ERCC1 (0.50) SMN1; SMN2HTTP2RX7TRPV1ERCC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SMN1; SMN2 4281/4885HTT 1708/4885CHRM2 1901/4885

“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.