SCHEMBL584550

SCHEMBL584550

O=C(NCc1cccc([N+](=O)[O-])c1)NC1CCCCC1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.73
POLB P06746 2/20 0.69
RAB9A P51151 4/20 0.65
NPC1 O15118 3/20 0.65
HPGD P15428 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.59
PTPN1 P18031 1/20 0.57
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
EPHX2 P34913 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KCNH2 Q12809 1/20 0.53

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
SCHEMBL583543 0.94 EPHX1 (0.66) EPHX1POLBRAB9ANPC1HPGD
SCHEMBL12196182 0.85 EPHX1 (1.00) EPHX1POLBRAB9ANPC1HPGD
SCHEMBL584201 0.80 EPHX1 (0.71) EPHX1POLBRAB9ANPC1HPGD
SCHEMBL6436349 0.79 EPHX1 (1.00) EPHX1RAB9ANPC1HPGDL3MBTL1
SCHEMBL34468086 0.79 RAB9A (1.00) EPHX1POLBRAB9ANPC1L3MBTL1
SCHEMBL12852553 0.78 EPHX1 (0.67) EPHX1POLBRAB9ANPC1HPGD
SCHEMBL2752603 0.77 EPHX1 (0.97) EPHX1RAB9ANPC1HPGDL3MBTL1
SCHEMBL583544 0.77 POLB (0.57) EPHX1POLBRAB9ANPC1PTPN1
SCHEMBL4865028 0.77 PTPN1 (0.68) PTPN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL15270999 0.77 SIGMAR1 (0.74) POLBRAB9ANPC1HPGDL3MBTL1

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
CN-102388032-B Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INT 2015-01-14 CN 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
CN-102388032-A Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INT 2012-03-21 CN 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 (2 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-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS CCR3, CCR1, CCR4 EPHX1 1463/4885POLB 4121/4885RAB9A 2096/4885
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists CCR3, CCR1, CCR4 EPHX1 1251/4885POLB 3997/4885RAB9A 1934/4885

“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.