SCHEMBL2201370

SCHEMBL2201370

COC(=O)CC1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.58
POLB P06746 1/20 0.55
KCNQ1 P51787 1/20 0.52
CNR1 P21554 1/20 0.50
HCRTR1 O43613 1/20 0.50
HCRTR2 O43614 1/20 0.50
RORC P51449 2/20 0.49
BRD4 O60885 1/20 0.48
BRD2 P25440 1/20 0.48

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
SCHEMBL14033652 0.90 BDKRB1 (0.55) BDKRB1POLBKCNQ1CNR1HCRTR1
SCHEMBL3405321 0.90 BDKRB1 (0.55) BDKRB1POLBKCNQ1CNR1
SCHEMBL5803423 0.89 BDKRB1 (0.58) BDKRB1POLBKCNQ1CNR1BRD4
SCHEMBL4118150 0.88 BDKRB1 (0.62) BDKRB1POLBKCNQ1CNR1
SCHEMBL644955 0.87 BDKRB1 (0.58) BDKRB1POLBCNR1RORC
SCHEMBL639275 0.84 BRD4 (0.57) BDKRB1POLBKCNQ1CNR1BRD4
SCHEMBL15267612 0.84 PSEN1 (0.57) BDKRB1POLBCNR1
SCHEMBL4280151 0.83 BDKRB1 (0.58) BDKRB1POLBCNR1
SCHEMBL13587105 0.83 BDKRB1 (0.56) BDKRB1POLBKCNQ1CNR1
SCHEMBL5126196 0.82 BDKRB1 (0.53) BDKRB1POLBCNR1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-8278319-B2 Substituted spiroamine compounds GRUENENTHAL GMBH (DE) 2012-10-02 US disclosed
EP-2344457-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2011-07-20 EP disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
WO-2010049146-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2010-05-06 WO disclosed
WO-2010049146-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2010-05-06 WO disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
WO-2009124733-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-10-15 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-20100113417-A1 Substituted Spiroamine Compounds BDKRB1, BDKRB2, REN BDKRB1 1/4885POLB 2657/4885KCNQ1 28/4885
US-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 BDKRB1 1/4885POLB 4364/4885KCNQ1 262/4885

“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.