SCHEMBL1497954

SCHEMBL1497954

Nc1scc(CN2CCN(c3ccc(Cl)cc3F)CC2)c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.72
GRM2 Q14416 2/20 0.42
DRD4 P21917 1/20 0.42
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
GRM5 P41594 1/20 0.39
KMT2A Q03164 2/20 0.39
CACNA1G O43497 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL1497781 0.94 ADORA1 (0.75) ADORA1ALDH1A1LMNAMAPT
SCHEMBL1497821 0.91 ADORA1 (0.76) ADORA1ALDH1A1LMNAMAPTGRM5
SCHEMBL1497710 0.90 ADORA1 (0.74) ADORA1DRD4ALDH1A1LMNAMAPT
SCHEMBL1497703 0.89 ADORA1 (0.76) ADORA1ALDH1A1LMNAMAPT
SCHEMBL1497786 0.89 ADORA1 (0.76) ADORA1DRD4MAPTKMT2ACACNA1G
SCHEMBL1497931 0.88 ADORA1 (0.74) ADORA1DRD4
SCHEMBL1497813 0.86 ADORA1 (0.69) ADORA1DRD4ALDH1A1LMNAKMT2A
SCHEMBL1497964 0.86 ADORA1 (0.74) ADORA1DRD4MAPTKMT2A
SCHEMBL1497790 0.86 ADORA1 (0.82) ADORA1DRD4LMNAMAPTKMT2A
SCHEMBL1497806 0.85 ADORA1 (0.80) ADORA1DRD4ALDH1A1MAPTKMT2A

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 1/4885GRM2 298/4885DRD4 1163/4885
US-20080125438-A1 ALLOSTERIC MODULATORS OF THE A1 ADENOSINE RECEPTOR ADORA1, ADORA2A, ADORA2B ADORA1 1/4885GRM2 298/4885DRD4 1163/4885
US-20110053917-A1 Allosteric Modulators of the A1 Adenosine Receptor ADORA1, ADORA2A, ADORA2B ADORA1 1/4885GRM2 311/4885DRD4 1249/4885

“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.