SCHEMBL1497964

SCHEMBL1497964

Nc1scc(CN2CCN(c3c(F)cc(F)cc3F)CC2)c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.74
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL1497943 0.91 ADORA1 (0.73) ADORA1KMT2ADRD4
SCHEMBL1497843 0.89 ADORA1 (0.83) ADORA1KMT2AMAPTHTR1ADRD2
SCHEMBL1497781 0.88 ADORA1 (0.75) ADORA1MAPTHTR1A
SCHEMBL1497786 0.87 ADORA1 (0.76) ADORA1KMT2AMAPTHTR1ADRD2
SCHEMBL1497790 0.86 ADORA1 (0.82) ADORA1KMT2AMAPTHTR1ADRD2
SCHEMBL1497954 0.86 ADORA1 (0.72) ADORA1KMT2AMAPTDRD4
SCHEMBL12758720 0.85 ADORA1 (1.00) ADORA1MAPTHTR1ADRD2DRD4
SCHEMBL1497703 0.85 ADORA1 (0.76) ADORA1MAPT
SCHEMBL1497806 0.85 ADORA1 (0.80) ADORA1KMT2AMAPTHTR1ADRD2
SCHEMBL1497879 0.84 ADORA1 (0.76) ADORA1MAPTDRD2DRD4DRD3

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 1/4885KMT2A 2529/4885MAPT 4395/4885
US-20080125438-A1 ALLOSTERIC MODULATORS OF THE A1 ADENOSINE RECEPTOR ADORA1, ADORA2A, ADORA2B ADORA1 1/4885KMT2A 2529/4885MAPT 4395/4885
US-20110053917-A1 Allosteric Modulators of the A1 Adenosine Receptor ADORA1, ADORA2A, ADORA2B ADORA1 1/4885KMT2A 2367/4885MAPT 4375/4885

“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.