SCHEMBL1497742

SCHEMBL1497742

Nc1scc(CN2CCN(c3cccc(Cl)c3)CC2)c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.84
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL12777939 0.92 ADORA1 (0.78) ADORA1HTR7
SCHEMBL1497815 0.92 ADORA1 (0.78) ADORA1SMN1; SMN2
SCHEMBL1497817 0.91 ADORA1 (1.00) ADORA1DRD4HTR1A
SCHEMBL1497826 0.90 ADORA1 (0.87) ADORA1
SCHEMBL12758721 0.90 ADORA1 (1.00) ADORA1DRD4HTR1A
SCHEMBL1497696 0.89 ADORA1 (0.79) ADORA1HTR7
SCHEMBL1497622 0.88 ADORA1 (0.84) ADORA1DRD4DRD3SMN1; SMN2
SCHEMBL1497790 0.88 ADORA1 (0.82) ADORA1DRD4DRD3HTR1A
SCHEMBL1497806 0.87 ADORA1 (0.80) ADORA1DRD4DRD3HTR1A
SCHEMBL1497843 0.86 ADORA1 (0.83) ADORA1DRD4DRD3HTR1A

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
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-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-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-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
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
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 (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-20080119460-A1 ALLOSTERIC MODULATORS OF THE A1 ADENOSINE RECEPTOR ADORA1, ADORA2A, ADORA2B ADORA1 1/4885DRD4 1163/4885DRD3 1256/4885
US-20080125438-A1 ALLOSTERIC MODULATORS OF THE A1 ADENOSINE RECEPTOR ADORA1, ADORA2A, ADORA2B ADORA1 1/4885DRD4 1163/4885DRD3 1256/4885
US-20110053917-A1 Allosteric Modulators of the A1 Adenosine Receptor ADORA1, ADORA2A, ADORA2B ADORA1 1/4885DRD4 1249/4885DRD3 1335/4885

“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.