SCHEMBL584555

SCHEMBL584555

Cc1cc(C(=O)N(C)C)cc(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.49
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
BRD4 O60885 1/20 0.38
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL30413605 1.00 GPBAR1 (0.49) GPBAR1ALDH1A1SMN1; SMN2MAPK1KDM4E
Trifluoroacetic Acid SCHEMBL15968402 0.89 GPBAR1 (0.43) GPBAR1ALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL3029986 0.88 GPBAR1 (0.43) GPBAR1ALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL19539187 0.86 TLR8 (0.44) GPBAR1ALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL3926252 0.83 GPBAR1 (0.45) GPBAR1ALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL21990471 0.80 MEN1 (0.39) GPBAR1ALDH1A1SMN1; SMN2KDM4EBRD4
SCHEMBL30227848 0.80 MEN1 (0.39) GPBAR1ALDH1A1SMN1; SMN2KDM4EBRD4
SCHEMBL501900 0.79 SMN1; SMN2 (0.55) GPBAR1ALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL29561847 0.79 SMN1; SMN2 (0.46) GPBAR1ALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL4928556 0.79 SMN1; SMN2 (0.46) GPBAR1ALDH1A1SMN1; SMN2MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed
EP-2763976-B1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2016-05-18 EP disclosed
US-9233950-B2 Co-crystals and salts of CCR3-inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-12 US disclosed
US-9233950-B2 Co-crystals and salts of CCR3-inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-12 US disclosed
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 US disclosed
US-20150105371-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-16 US disclosed
US-20150105371-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-16 US disclosed
EP-2625174-B1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-01-21 EP disclosed
US-RE45323-E1 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 US disclosed
US-8653075-B2 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
WO-2013052394-A1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-04-11 WO disclosed
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-20120264729-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-18 US disclosed
US-20120264729-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-18 US disclosed
US-8278302-B2 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-02 US disclosed
WO-2012045803-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-12 WO disclosed
EP-2417120-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed
WO-2010115836-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 WO disclosed
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 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 (5 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-20120264729-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS CCR3, CCR1, CCR4 GPBAR1 69/4885ALDH1A1 2661/4885SMN1; SMN2 3098/4885
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK GPBAR1 1440/4885ALDH1A1 3180/4885SMN1; SMN2 3399/4885
US-20150105371-A1 CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS CCR3, CCR1, CCR4 GPBAR1 69/4885ALDH1A1 2661/4885SMN1; SMN2 3098/4885
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS CCR3, CCR1, CCR4 GPBAR1 124/4885ALDH1A1 876/4885SMN1; SMN2 1482/4885
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists CCR3, CCR1, CCR4 GPBAR1 92/4885ALDH1A1 664/4885SMN1; SMN2 1205/4885

“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.