SCHEMBL1497891

SCHEMBL1497891

CC(C)N1CCN(Cc2csc(N)c2C(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.77
HRH3 Q9Y5N1 5/20 0.47
CHRNA7 P36544 1/20 0.44
DDR1 Q08345 2/20 0.43

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
SCHEMBL1497837 0.87 ADORA1 (1.00) ADORA1
SCHEMBL1497783 0.87 ADORA1 (0.88) ADORA1
SCHEMBL1497952 0.84 ADORA1 (1.00) ADORA1
SCHEMBL1497855 0.84 ADORA1 (0.77) ADORA1
SCHEMBL1497899 0.84 ADORA1 (0.77) ADORA1HRH3
SCHEMBL12758721 0.84 ADORA1 (1.00) ADORA1
SCHEMBL1497621 0.82 ADORA1 (0.77) ADORA1
SCHEMBL1497774 0.82 ADORA1 (0.82) ADORA1
SCHEMBL1497826 0.82 ADORA1 (0.87) ADORA1
SCHEMBL1497865 0.81 ADORA1 (1.00) ADORA1

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 18 patents. 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 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-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-2081575-A2 ALLOSTERIC MODULATORS OF THE A1 ADENOSINE RECEPTOR King Pharmaceuticals Research and Development Inc. (US) 2009-07-29 EP 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 1/4885HRH3 900/4885CHRNA7 130/4885
US-20080125438-A1 ALLOSTERIC MODULATORS OF THE A1 ADENOSINE RECEPTOR ADORA1, ADORA2A, ADORA2B ADORA1 1/4885HRH3 900/4885CHRNA7 130/4885
US-20110053917-A1 Allosteric Modulators of the A1 Adenosine Receptor ADORA1, ADORA2A, ADORA2B ADORA1 1/4885HRH3 906/4885CHRNA7 157/4885

“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.