SCHEMBL1497925

SCHEMBL1497925

N#Cc1ccc(N2CCN(Cc3csc(N)c3C(=O)c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 1.00
DRD2 P14416 3/20 0.48
DRD4 P21917 3/20 0.48
DRD3 P35462 3/20 0.48
POLB P06746 1/20 0.45
KCNH2 Q12809 1/20 0.42
BCL2 P10415 1/20 0.42
BAK1 Q16611 1/20 0.42

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
SCHEMBL12758721 0.92 ADORA1 (1.00) ADORA1DRD4BCL2BAK1
SCHEMBL1497892 0.88 ADORA1 (0.91) ADORA1DRD2DRD4DRD3BCL2
SCHEMBL12758720 0.87 ADORA1 (1.00) ADORA1DRD2DRD4DRD3POLB
SCHEMBL1497865 0.87 ADORA1 (1.00) ADORA1BCL2BAK1
SCHEMBL1497817 0.86 ADORA1 (1.00) ADORA1DRD4BCL2BAK1
SCHEMBL1497826 0.85 ADORA1 (0.87) ADORA1BCL2BAK1
SCHEMBL1497922 0.85 ADORA1 (0.85) ADORA1DRD2DRD4DRD3BCL2
SCHEMBL12758722 0.84 ADORA1 (0.84) ADORA1
SCHEMBL1497662 0.84 ADORA1 (1.00) ADORA1BCL2BAK1
SCHEMBL1497622 0.84 ADORA1 (0.84) ADORA1DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053917-A1 Allosteric Modulators of the A1 Adenosine Receptor BARALDI PIER GIOVANNI 2011-03-03 US claimed
US-7855209-B2 Allosteric modulators of the A1 adenosine receptor KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2010-12-21 US claimed
EP-2081575-A2 ALLOSTERIC MODULATORS OF THE A1 ADENOSINE RECEPTOR King Pharmaceuticals Research and Development Inc. (US) 2009-07-29 EP claimed
US-20080125438-A1 ALLOSTERIC MODULATORS OF THE A1 ADENOSINE RECEPTOR KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2008-05-29 US claimed
WO-2008063984-A2 ALLOSTERIC MODULATORS OF THE A1 ADENOSINE RECEPTOR KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-05-29 WO claimed
US-20110053917-A1 Allosteric Modulators of the A1 Adenosine Receptor BARALDI PIER GIOVANNI 2011-03-03 US disclosed
US-20110053917-A1 Allosteric Modulators of the A1 Adenosine Receptor BARALDI PIER GIOVANNI 2011-03-03 US disclosed
US-7897596-B2 {2-Amino-4-[(4-(4-chlorophenyl)piperidin-1-yl)methyl]thiophen-3-yl}(4-chlorophenyl)methanone; analgesic, antidepressant; cardiac disease or disorder, neurological disease or injury, sleep disorder, epilepsy, neuropathic pain, angina KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2011-03-01 US disclosed
US-7897596-B2 {2-Amino-4-[(4-(4-chlorophenyl)piperidin-1-yl)methyl]thiophen-3-yl}(4-chlorophenyl)methanone; analgesic, antidepressant; cardiac disease or disorder, neurological disease or injury, sleep disorder, epilepsy, neuropathic pain, angina KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2011-03-01 US disclosed
US-7855209-B2 Allosteric modulators of the A1 adenosine receptor KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2010-12-21 US disclosed
US-7855209-B2 Allosteric modulators of the A1 adenosine receptor KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2010-12-21 US disclosed
EP-2150110-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN King Pharmaceuticals Research and Development Inc. (US) 2010-02-10 EP disclosed
US-20090041839-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2009-02-12 US disclosed
WO-2008147939-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-12-04 WO disclosed
US-20080125438-A1 ALLOSTERIC MODULATORS OF THE A1 ADENOSINE RECEPTOR KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2008-05-29 US disclosed
US-20080125438-A1 ALLOSTERIC MODULATORS OF THE A1 ADENOSINE RECEPTOR KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2008-05-29 US disclosed
WO-2008063984-A2 ALLOSTERIC MODULATORS OF THE A1 ADENOSINE RECEPTOR KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-05-29 WO disclosed
WO-2008063984-A2 ALLOSTERIC MODULATORS OF THE A1 ADENOSINE RECEPTOR KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-05-29 WO disclosed
US-20080119460-A1 ALLOSTERIC MODULATORS OF THE A1 ADENOSINE RECEPTOR KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2008-05-22 US disclosed
US-20080119460-A1 ALLOSTERIC MODULATORS OF THE A1 ADENOSINE RECEPTOR KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2008-05-22 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 (4 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-20080119460-A1 ALLOSTERIC MODULATORS OF THE A1 ADENOSINE RECEPTOR ADORA1, ADORA2A, ADORA2B ADORA1 1/4885DRD2 770/4885DRD4 1163/4885
US-20080125438-A1 ALLOSTERIC MODULATORS OF THE A1 ADENOSINE RECEPTOR ADORA1, ADORA2A, ADORA2B ADORA1 1/4885DRD2 770/4885DRD4 1163/4885
US-20110053917-A1 Allosteric Modulators of the A1 Adenosine Receptor ADORA1, ADORA2A, ADORA2B ADORA1 1/4885DRD2 845/4885DRD4 1249/4885
US-20090041839-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN ADORA1, ADORA2A, ADORA3 ADORA1 1/4885DRD2 1568/4885DRD4 2973/4885

“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.