SCHEMBL3160989

SCHEMBL3160989

O=C(O)N1CCC(COCC2CC2)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.36
RBP4 P02753 2/20 0.36
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
BRD4 O60885 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK14 Q16539 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSK P43235 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
SCHEMBL796623 0.90 ALDH1A1 (0.36) ITGB3ITGA2BALDH1A1SLC1A3SLC1A2
SCHEMBL2773399 0.83 RAB9A (0.40) TACR3RBP4
SCHEMBL15390149 0.83 RAB9A (0.40) TACR3RBP4
SCHEMBL26093464 0.83 RBP4 (0.33) TACR3RBP4ALDH1A1
SCHEMBL20556274 0.83 RBP4 (0.33) TACR3RBP4ALDH1A1
SCHEMBL26093432 0.83 RBP4 (0.33) TACR3RBP4ALDH1A1
SCHEMBL26093425 0.83 RBP4 (0.33) TACR3RBP4ALDH1A1
SCHEMBL28913729 0.82 ALDH1A1 (0.36) TACR3RBP4ITGB3ITGA2BALDH1A1
SCHEMBL22370869 0.79 TACR3 (0.35) TACR3RBP4
SCHEMBL27150060 0.79 ITGB3 (0.47) ITGB3ITGA2B

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 TACR3 364/4885RBP4 4814/4885ITGB3 3171/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 TACR3 364/4885RBP4 4814/4885ITGB3 3171/4885

“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.