SCHEMBL4604584

SCHEMBL4604584

CN(C)C(=O)c1cc(C(=O)N(C)C)cc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.63
KMT2A Q03164 4/20 0.62
HTT P42858 3/20 0.62
MEN1 O00255 3/20 0.54
HPGD P15428 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
CYP3A4 P08684 1/20 0.52
HKDC1 Q2TB90 1/20 0.48
TP53 P04637 2/20 0.46
ALDH1A1 P00352 3/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.43
GAA P10253 1/20 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
SCHEMBL13307458 0.93 ATM (0.56) ATMKMT2AHTTMEN1HPGD
SCHEMBL12852909 0.93 ATM (0.60) ATMKMT2AHTTMEN1HPGD
SCHEMBL7247261 0.88 HTT (0.54) ATMKMT2AHTTMEN1HPGD
SCHEMBL3580457 0.85 KMT2A (0.51) ATMKMT2AHTTMEN1HPGD
SCHEMBL3759687 0.85 KMT2A (0.51) ATMKMT2AHTTMEN1HPGD
SCHEMBL29957193 0.85 KMT2A (0.51) ATMKMT2AHTTMEN1HPGD
SCHEMBL17615093 0.85 KMT2A (0.51) ATMKMT2AHTTMEN1HPGD
SCHEMBL3166508 0.84 GPBAR1 (0.53) ATMKMT2AHTTMEN1HPGD
SCHEMBL28967010 0.84 ATM (0.51) ATMKMT2AHTTMEN1HPGD
SCHEMBL20474525 0.82 ATM (0.57) ATMKMT2AHTTMEN1HPGD

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 10 patents. 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
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-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
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-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 (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-20080306067-A1 Modulators of Chemokine Receptor Activity CCR3, CCR1, CCR4 ATM 3530/4885KMT2A 4826/4885HTT 4831/4885
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS CCR3, CCR1, CCR4 ATM 4130/4885KMT2A 3453/4885HTT 3830/4885
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists CCR3, CCR1, CCR4 ATM 4190/4885KMT2A 3391/4885HTT 3595/4885

“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.