SCHEMBL5374782

SCHEMBL5374782

COC(=O)CC1CC[N]C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
TSHR P16473 3/20 0.34
GAA P10253 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
EPHX2 P34913 2/20 0.32
MIF P14174 5/20 0.31
HDAC6 Q9UBN7 1/20 0.31
LTA4H P09960 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DGAT1 O75907 1/20 0.30

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
SCHEMBL2919171 0.78 BRD4 (0.36) BRD4
SCHEMBL2911129 0.78 BRD4 (0.46) BRD4MIFHDAC6LTA4HSMN1; SMN2
SCHEMBL24197361 0.77 BRD4 (0.50) BRD4TSHRGAAHSD17B10MGAM
SCHEMBL2036054 0.77
SCHEMBL26647720 0.77 BRD4 (0.50) BRD4TSHRGAAHSD17B10MGAM
SCHEMBL1858152 0.75
Ammonia Solution, Strong SCHEMBL27687914 0.74
SCHEMBL5378578 0.74
SCHEMBL2919627 0.73 BRD4 (0.38) BRD4TSHRGAA
SCHEMBL2920789 0.73 BRD4 (0.38) BRD4TSHRGAAHSD17B10LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1731520-A1 Pyrrolo[2,3-d]pyrimidine derivatives which are antagonists of adenosine A1, A2A, and A3 OSI Pharmaceuticals, Inc. (US) 2006-12-13 EP claimed
US-6686366-B1 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. 2004-02-03 US claimed
US-20030139427-A1 Bicyclic pyrimidinyl derivatives and methods of use thereof OSI PHARMACEUTICALS INC. 2003-07-24 US claimed
EP-1246623-A4 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI PHARM INC (US) 2003-05-14 EP claimed
US-20030036545-A1 Compounds specific to adenosine A2a receptor and uses thereof OSI PHARMACEUTICALS, INC. 2003-02-20 US claimed
EP-1246623-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI Pharmaceuticals, Inc. (US) 2002-10-09 EP claimed
US-20020094974-A1 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. 2002-07-18 US claimed
WO-2001039777-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1 A2A, AND A3 RECEPTORS AND USES THEREOF OSI PHARMACEUTICALS, INC. (US) 2001-06-07 WO claimed
WO-2012125400-A1 COMPOSITIONS AND METHODS USING ADENOSINE A3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY EYE DISEASES ACORN BIOMEDICAL, INC. (US) 2012-09-20 WO disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
EP-1731520-A1 Pyrrolo[2,3-d]pyrimidine derivatives which are antagonists of adenosine A1, A2A, and A3 OSI Pharmaceuticals, Inc. (US) 2006-12-13 EP disclosed
US-6878716-B1 Compounds specific to adenosine A1 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2005-04-12 US disclosed
EP-1347980-A4 COMPOUNDS SPECIFIC TO ADENOSINE-A1,-A2A, AND- A3-RECEPTOR AND USES THEREOF OSI PHARM INC (US) 2005-02-09 EP disclosed
US-6686366-B1 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. 2004-02-03 US disclosed
EP-1246623-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI Pharmaceuticals, Inc. (US) 2002-10-09 EP disclosed
WO-2002057267-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI PHARMACEUTICALS, INC. (US) 2002-07-25 WO disclosed
US-20020094974-A1 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. 2002-07-18 US disclosed
WO-2001039777-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1 A2A, AND A3 RECEPTORS AND USES THEREOF OSI PHARMACEUTICALS, INC. (US) 2001-06-07 WO disclosed
US-5358949-A Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-25 US disclosed
EP-0236140-A2 Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-09 EP 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-20030139427-A1 Bicyclic pyrimidinyl derivatives and methods of use thereof ADORA2A, ADORA3, ADORA1 BRD4 1109/4885TSHR 409/4885GAA 1734/4885
US-20030036545-A1 Compounds specific to adenosine A2a receptor and uses thereof ADORA2A, ADORA2B, ADORA3 BRD4 2677/4885TSHR 200/4885GAA 630/4885
US-20020094974-A1 Compounds specific to adenosine A3 receptor and uses thereof ADORA3, ADORA2A, ADORA1 BRD4 3127/4885TSHR 323/4885GAA 356/4885

“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.