SCHEMBL3729246

SCHEMBL3729246

COC(=O)C1CCC[N]C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
POLB P06746 1/20 0.37
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL4673128 1.00 SMN1; SMN2 (0.43) SMN1; SMN2TP53CHRNB2CHRNA4CHRNB4
SCHEMBL2415202 0.88
SCHEMBL9266877 0.80 HTT (0.31) SMN1; SMN2
SCHEMBL3028991 0.79 HTT (0.31)
SCHEMBL2751239 0.79 HRH3 (0.38) SMN1; SMN2ALDH1A1GAA
SCHEMBL234449 0.79 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL3950967 0.78 PPM1B (0.41) SMN1; SMN2ALDH1A1
SCHEMBL2921227 0.76 CHRNB2 (0.37) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3953036 0.75 ADRB2 (0.36) SMN1; SMN2ALDH1A1
SCHEMBL2833747 0.75 SMN1; SMN2 (0.59) SMN1; SMN2TP53CHRNB2CHRNA4CHRNB4

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-1740587-A4 SELECTIVE ANTAGONISTS OF A-2A- ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS LLC (US) 2009-07-15 EP claimed
US-7217702-B2 Selective antagonists of A2A adenosine receptors ADENOSINE THERAPEUTICS, LLC (US) 2007-05-15 US claimed
EP-1740587-A2 SELECTIVE ANTAGONISTS OF A-2A- ADENOSINE RECEPTORS Adenosine Therapeutics, LLC (US) 2007-01-10 EP claimed
US-20050282831-A1 Selective antagonists of A2A adenosine receptors ADENOSINE THERAPEUTICS, LLC 2005-12-22 US claimed
WO-2005097140-A2 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC (US) 2005-10-20 WO claimed
EP-2573079-A2 Benzimidazole quinolinones and uses thereof Novartis Vaccines and Diagnostics, Inc. (US) 2013-03-27 EP disclosed
US-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 US disclosed
US-20090281100-A1 Benzimidazole quinolinones and uses thereof BARSANTI PAUL A 2009-11-12 US disclosed
EP-1740587-A4 SELECTIVE ANTAGONISTS OF A-2A- ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS LLC (US) 2009-07-15 EP disclosed
EP-1539754-A4 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-02-25 EP disclosed
US-7470709-B2 Benzimidazole quinolinones and uses thereof NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US disclosed
US-20080176858-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC (US) 2008-07-24 US disclosed
US-20050256157-A1 Combination therapy with CHK1 inhibitors CHIRON CORPORATION 2005-11-17 US disclosed
WO-2005097140-A2 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC (US) 2005-10-20 WO disclosed
US-20050203101-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2005-09-15 US disclosed
EP-1539754-A2 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF Chiron Corporation (US) 2005-06-15 EP disclosed
US-20040092535-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2004-05-13 US disclosed
WO-2004018419-A2 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF CHIRON CORPORATION (US) 2004-03-04 WO disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US 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 (6 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-20050282831-A1 Selective antagonists of A2A adenosine receptors ADORA2A, ADORA2B, ADORA3 SMN1; SMN2 942/4885TP53 4285/4885CHRNB2 39/4885
US-20050256157-A1 Combination therapy with CHK1 inhibitors CHEK1, CHEK2, RAD1 SMN1; SMN2 1651/4885TP53 18/4885CHRNB2 3617/4885
US-20090281100-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 SMN1; SMN2 2956/4885TP53 2043/4885CHRNB2 3928/4885
US-20050203101-A1 Benzimidazole quinolinones and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, PBRM1 SMN1; SMN2 976/4885TP53 2/4885CHRNB2 3068/4885
US-20040092535-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 SMN1; SMN2 2790/4885TP53 2069/4885CHRNB2 4021/4885
US-20080176858-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADORA2A, ADORA1, ADORA2B SMN1; SMN2 1651/4885TP53 4141/4885CHRNB2 90/4885

“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.