SCHEMBL583560

SCHEMBL583560

CN(C)C(=O)c1cc(N)cc(C(=O)N(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
FURIN P09958 1/20 0.38
KIF11 P52732 2/20 0.36
ERN1 O75460 2/20 0.36
MAOB P27338 1/20 0.36
AOC3 Q16853 1/20 0.36
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PDK2 Q15119 1/20 0.35
MAP4K1 Q92918 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
DDO Q99489 1/20 0.34
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL24041391 0.95 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL13307461 0.92 CA5A (0.40) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL12852900 0.92 SMN1; SMN2 (0.38) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL12221612 0.87 SMN1; SMN2 (0.52) ALDH1A1HPGDSMN1; SMN2MAPTERN1
SCHEMBL18175988 0.87 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL12852901 0.87 BRD4 (0.43) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL584301 0.87 CA12 (0.46) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL3579514 0.82 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL15055393 0.81 CA2 (0.39)
SCHEMBL3050386 0.81 GPBAR1 (0.49) ALDH1A1KIF11GAA

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230346764-A1 Methods and Compositions for Treating Pruritus, Xerosis, and Associated Disease Using CCR3-Inhibitors ALKAHEST, INC. 2023-11-02 US disclosed
EP-4245295-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR USE IN TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS Alkahest, Inc. (US) 2023-09-20 EP disclosed
EP-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed
EP-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed
US-RE45323-E1 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
US-RE45323-E1 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
US-8653075-B2 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-8653075-B2 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-8278302-B2 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-02 US disclosed
US-8278302-B2 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-02 US 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
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
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
EP-1943235-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Novartis AG (CH) 2008-07-16 EP disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 WO 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 (4 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-20080306067-A1 Modulators of Chemokine Receptor Activity CCR3, CCR1, CCR4 ALDH1A1 906/4885HPGD 388/4885SMN1; SMN2 4305/4885
US-20230346764-A1 Methods and Compositions for Treating Pruritus, Xerosis, and Associated Disease Using CCR3-Inhibitors CCR3, CCR1, CCR4 ALDH1A1 4741/4885HPGD 2874/4885SMN1; SMN2 3606/4885
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS CCR3, CCR1, CCR4 ALDH1A1 876/4885HPGD 3273/4885SMN1; SMN2 1482/4885
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists CCR3, CCR1, CCR4 ALDH1A1 664/4885HPGD 3051/4885SMN1; 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.