SCHEMBL1128041

SCHEMBL1128041

COCCCS(=O)(=O)c1ccc(-c2ccc(CCO)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.58
HRH3 Q9Y5N1 1/20 0.58
CA2 P00918 6/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5652129 0.88 CA2 (0.53) KCNH2HRH3CA2CA12CA1
SCHEMBL12855839 0.87 KCNH2 (0.59) KCNH2HRH3CA2ALDH1A1LMNA
SCHEMBL1938557 0.86 KCNH2 (0.58) KCNH2HRH3ALDH1A1LMNAHPGD
SCHEMBL1938454 0.86 KCNH2 (0.58) KCNH2HRH3ALDH1A1LMNAHPGD
SCHEMBL12863268 0.84 KCNH2 (0.55) KCNH2HRH3CA2ALDH1A1LMNA
SCHEMBL12855853 0.84 CA2 (0.50) KCNH2CA2CA12CA1CA4
SCHEMBL1128229 0.83 KCNH2 (0.56) KCNH2HRH3CA2CA1ALDH1A1
SCHEMBL1128049 0.82 KCNH2 (0.54) KCNH2HRH3ALDH1A1LMNAHPGD
SCHEMBL12855835 0.82 KCNH2 (0.54) KCNH2HRH3ALDH1A1LMNAHPGD
SCHEMBL13659532 0.82 KCNH2 (0.51) KCNH2HRH3ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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

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-20110040105-A1 PROCESSES USEFUL FOR THE SYNTHESIS OF (R)-1--2-METHYL-PYRROLIDINE DHPS, MRM1, ALDH18A1 KCNH2 2327/4885HRH3 2097/4885CA2 4398/4885
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 1/4885CA2 3488/4885

“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.