SCHEMBL5356509

SCHEMBL5356509

O=C(NCCc1ccccc1F)C1(c2cccc(F)c2)CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
P2RX7 Q99572 1/20 0.48
TRPV1 Q8NER1 3/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 1/20 0.44
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC4 P56524 4/20 0.42
NPC1 O15118 1/20 0.42
PAX8 Q06710 1/20 0.42
KLF5 Q13887 1/20 0.42
MAPT P10636 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CNR1 P21554 1/20 0.40

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
SCHEMBL5353363 0.89 SMN1; SMN2 (0.63) SMN1; SMN2HTTP2RX7MEN1KMT2A
SCHEMBL5355981 0.87 SMN1; SMN2 (0.53) SMN1; SMN2HTTP2RX7TRPV1ERCC1
SCHEMBL5357953 0.83 HDAC4 (0.59) SMN1; SMN2HTTP2RX7TRPV1KMT2A
SCHEMBL5348970 0.83 SMN1; SMN2 (0.51) SMN1; SMN2HTTP2RX7ERCC1ERCC4
SCHEMBL5345980 0.83 CNR1 (0.55) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL5352479 0.82 PSEN1 (0.50) SMN1; SMN2HTTP2RX7TRPV1MEN1
SCHEMBL14491547 0.81 SMN1; SMN2 (0.52) SMN1; SMN2HTTP2RX7TRPV1KMT2A
SCHEMBL5355156 0.79 SMN1; SMN2 (0.52) SMN1; SMN2HTTP2RX7TRPV1MEN1
SCHEMBL5352499 0.78 TRPV1 (0.47) SMN1; SMN2HTTP2RX7TRPV1MEN1
SCHEMBL14516606 0.78 HDAC4 (0.53) SMN1; SMN2HTTP2RX7TP53LMNA

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 1708/4885P2RX7 930/4885

“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.