SCHEMBL1128396

SCHEMBL1128396

COCCCS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 1.00
HRH3 Q9Y5N1 6/20 1.00

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
SCHEMBL1128120 1.00 KCNH2 (1.00) KCNH2HRH3
Hydrochloric Acid SCHEMBL1141460 0.99 KCNH2 (0.98) KCNH2HRH3
Hydrochloric Acid SCHEMBL1141464 0.99 KCNH2 (0.98) KCNH2HRH3
SCHEMBL1939411 0.95 KCNH2 (1.00) KCNH2HRH3
SCHEMBL1939700 0.95 KCNH2 (1.00) KCNH2HRH3
SCHEMBL1938186 0.95 KCNH2 (1.00) KCNH2HRH3
Hydrochloric Acid SCHEMBL1939603 0.94 KCNH2 (0.98) KCNH2HRH3
Hydrochloric Acid SCHEMBL1939605 0.94 KCNH2 (0.98) KCNH2HRH3
Fumaric Acid SCHEMBL1141068 0.92 KCNH2 (0.85) KCNH2HRH3
Fumaric Acid SCHEMBL1141067 0.92 KCNH2 (0.85) KCNH2HRH3

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074086-B1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2011-06-15 EP claimed
US-20100292288-A1 CRYSTALLINE FORMS OF (R)-1-{2-[4`- (3-METHOXY-PROPANE-1- SULFONYL)-BIPHENYL-4-YL]-ETHYL}-2-METHYL-PYRROLIDINE, AND COMPOSITIONS, AND METHODS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2010-11-18 US claimed
US-20100240653-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2010-09-23 US claimed
EP-2074086-B1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2011-06-15 EP disclosed
EP-2074086-B1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2011-06-15 EP disclosed
CN-102066319-A Process for the synthesis of -1- {2- [ 4' - (3-methoxypropan-1-sulfonyl) -biphenyl-4-yl ] -ethyl } -2-methyl-pyrrolidine ARENA PHARM INC 2011-05-18 CN disclosed
US-20110040105-A1 PROCESSES USEFUL FOR THE SYNTHESIS OF (R)-1--2-METHYL-PYRROLIDINE ARENA PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110040105-A1 PROCESSES USEFUL FOR THE SYNTHESIS OF (R)-1--2-METHYL-PYRROLIDINE ARENA PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110040105-A1 PROCESSES USEFUL FOR THE SYNTHESIS OF (R)-1--2-METHYL-PYRROLIDINE ARENA PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
EP-2282992-A1 PROCESSES USEFUL FOR THE SYNTHESIS OF (R)-1-{2-Ý4'-(3-METHOXYPROPANE-1-SULFONYL)-BIPHENYL-4-YL¨-ETHYL}-2-METHYL-PYRROLIDINE Arena Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
US-20100292288-A1 CRYSTALLINE FORMS OF (R)-1-{2-[4`- (3-METHOXY-PROPANE-1- SULFONYL)-BIPHENYL-4-YL]-ETHYL}-2-METHYL-PYRROLIDINE, AND COMPOSITIONS, AND METHODS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
EP-2155668-A2 CRYSTALLINE FORMS OF (R)-1-{2-Ý4'- (3-METHOXY-PROPANE-1- SULFONYL)-BIPHENYL-4-YL¨-ETHYL}-2-METHYL-PYRROLIDINE, AND COMPOSITIONS, AND METHODS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
EP-2155668-A2 CRYSTALLINE FORMS OF (R)-1-{2-Ý4'- (3-METHOXY-PROPANE-1- SULFONYL)-BIPHENYL-4-YL¨-ETHYL}-2-METHYL-PYRROLIDINE, AND COMPOSITIONS, AND METHODS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
WO-2009128907-A1 PROCESSES USEFUL FOR THE SYNTHESIS OF (R)-1-{2-[4'-(3-METHOXYPROPANE-1-SULFONYL)-BIPHENYL-4-YL]-ETHYL}-2-METHYL-PYRROLIDINE ARENA PHARMACEUTICALS, INC. (US) 2009-10-22 WO disclosed
WO-2009128907-A1 PROCESSES USEFUL FOR THE SYNTHESIS OF (R)-1-{2-[4'-(3-METHOXYPROPANE-1-SULFONYL)-BIPHENYL-4-YL]-ETHYL}-2-METHYL-PYRROLIDINE ARENA PHARMACEUTICALS, INC. (US) 2009-10-22 WO disclosed
WO-2008153958-A3 CRYSTALLINE FORMS OF (R)-1-{2-[4'- (3-METHOXY-PROPANE-1- SULFONYL)-BIPHENYL-4-YL]-ETHYL}-2-METHYL-PYRROLIDINE, AND COMPOSITIONS, AND METHODS RELATED THERETO ARENA PHARM INC (US) 2009-02-05 WO disclosed
WO-2008153958-A2 CRYSTALLINE FORMS OF (R)-1-{2-[4'- (3-METHOXY-PROPANE-1- SULFONYL)-BIPHENYL-4-YL]-ETHYL}-2-METHYL-PYRROLIDINE, AND COMPOSITIONS, AND METHODS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-12-18 WO disclosed
WO-2008153958-A2 CRYSTALLINE FORMS OF (R)-1-{2-[4'- (3-METHOXY-PROPANE-1- SULFONYL)-BIPHENYL-4-YL]-ETHYL}-2-METHYL-PYRROLIDINE, AND COMPOSITIONS, AND METHODS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-12-18 WO disclosed
WO-2008153958-A2 CRYSTALLINE FORMS OF (R)-1-{2-[4'- (3-METHOXY-PROPANE-1- SULFONYL)-BIPHENYL-4-YL]-ETHYL}-2-METHYL-PYRROLIDINE, AND COMPOSITIONS, AND METHODS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-12-18 WO disclosed
WO-2008048609-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-04-24 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 (3 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-20110040105-A1 PROCESSES USEFUL FOR THE SYNTHESIS OF (R)-1--2-METHYL-PYRROLIDINE DHPS, MRM1, ALDH18A1 KCNH2 2327/4885HRH3 2097/4885
US-20100240653-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HRH3, HRH4, HRH1 KCNH2 1344/4885HRH3 1/4885
US-20100292288-A1 CRYSTALLINE FORMS OF (R)-1-{2-[4`- (3-METHOXY-PROPANE-1- SULFONYL)-BIPHENYL-4-YL]-ETHYL}-2-METHYL-PYRROLIDINE, AND COMPOSITIONS, AND METHODS RELATED THERETO HRH3, HRH4, HTR1D KCNH2 1455/4885HRH3 1/4885

“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.