SCHEMBL3154457

SCHEMBL3154457

O=C1CC2CCC1CC2C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 3/20 0.35
SLC1A1 P43005 3/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C1 Q04828 1/20 0.35
GABRR1 P24046 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL13801180 1.00 SLC1A2 (0.35) SLC1A2SLC1A1AKR1C3AKR1C1GABRR1
SCHEMBL3167547 0.78 CHRM2 (0.36) MEN1KMT2A
SCHEMBL13801179 0.78 CHRM2 (0.36) MEN1KMT2A
SCHEMBL6977355 0.77 CYP3A4 (0.30)
SCHEMBL11198293 0.75 SLC1A2 (0.37) SLC1A2SLC1A1GABRR1MEN1KMT2A
SCHEMBL27637401 0.69 GABRR1 (0.34) GABRR1
SCHEMBL23061770 0.69 SLC1A2 (0.42) SLC1A2SLC1A1GABRR1
SCHEMBL5417560 0.69 SLC1A2 (0.42) SLC1A2SLC1A1GABRR1
SCHEMBL3466009 0.69 SLC1A2 (0.42) SLC1A2SLC1A1GABRR1
SCHEMBL16728466 0.69 SLC1A2 (0.42) SLC1A2SLC1A1GABRR1

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
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 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 (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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 SLC1A2 172/4885SLC1A1 173/4885AKR1C3 1962/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 SLC1A2 172/4885SLC1A1 173/4885AKR1C3 1962/4885

“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.