SCHEMBL2387192

SCHEMBL2387192

O=C(NC=C1CCCCC1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
HTT P42858 3/20 0.46
HPGD P15428 1/20 0.45
HDAC3 O15379 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
IDO1 P14902 1/20 0.44
ALOX15 P16050 1/20 0.44
HDAC1 Q13547 1/20 0.44
CA9 Q16790 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
GAA P10253 3/20 0.44
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41

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
SCHEMBL2387189 0.77 RAB9A (0.42) RAB9ANPC1HTTHPGDHDAC3
SCHEMBL5585822 0.72 NPC1 (0.51) RAB9ANPC1HTTHPGDHDAC3
SCHEMBL10841553 0.70 NPC1 (0.59) RAB9ANPC1HPGDHDAC3CA12
SCHEMBL554490 0.70 RAB9A (0.59) RAB9ANPC1HPGDHDAC3CA12
SCHEMBL9117090 0.69 RAB9A (0.51) RAB9ANPC1HPGDHDAC3HDAC1
SCHEMBL5155207 0.69 NPC1 (0.57) RAB9ANPC1HPGDHDAC3CA12
SCHEMBL497521 0.69 NPC1 (0.57) RAB9ANPC1HPGDHDAC3CA12
SCHEMBL289886 0.69 NPC1 (0.57) RAB9ANPC1HPGDHDAC3CA12
SCHEMBL11145110 0.69 NPC1 (0.57) RAB9ANPC1HPGDHDAC3CA12
SCHEMBL4644708 0.69 NPC1 (0.57) RAB9ANPC1HPGDHDAC3CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575148-B2 Spiro azepane-oxazolidinones as Kv1.3 potassium channel blockers ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2013-11-05 US disclosed
EP-2376501-A1 SPIRO AZEPANE-OXAZOLIDINONES AS Kv1.3 POTASSIUM CHANNEL BLOCKERS Abbott Healthcare Products B.V. (NL) 2011-10-19 EP disclosed
US-20110237569-A1 SPIRO AZEPANE-OXAZOLIDINONES AS Kv1.3 POTASSIUM CHANNEL BLOCKERS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-09-29 US disclosed
WO-2010066840-A1 SPIRO AZEPANE-OXAZOLIDINONES AS Kv1.3 POTASSIUM CHANNEL BLOCKERS SOLVAY PHARMACEUTICALS B.V. (NL) 2010-06-17 WO 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-20110237569-A1 SPIRO AZEPANE-OXAZOLIDINONES AS Kv1.3 POTASSIUM CHANNEL BLOCKERS KCNA3, KCND3, KCNK3 RAB9A 2041/4885NPC1 2332/4885HTT 2159/4885

“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.