SCHEMBL584156

SCHEMBL584156

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

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.66
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 1/20 0.47
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46

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
SCHEMBL8076355 0.89 NPC1 (0.79) NPC1GAASMN1; SMN2HTTKMT2A
SCHEMBL1114367 0.86 NPC1 (0.79) NPC1SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL3511226 0.86 CA12 (0.58) SMN1; SMN2KMT2AALDH1A1MAPTMEN1
SCHEMBL2367399 0.85 HTT (0.63) GAASMN1; SMN2HTTKMT2AALDH1A1
SCHEMBL12852871 0.84 ALOX5 (0.53) GAASMN1; SMN2HTTKMT2AALDH1A1
SCHEMBL7683393 0.84 NPC1 (0.71) NPC1SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL584234 0.84 NPC1 (0.71) NPC1SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL13679624 0.83 NPC1 (0.66) NPC1GAASMN1; SMN2KMT2AALDH1A1
SCHEMBL584503 0.82 NPC1 (0.69) NPC1SMN1; SMN2HTTKMT2AALDH1A1
SCHEMBL11170918 0.82 NPC1 (0.74) NPC1SMN1; SMN2KMT2AMAPT

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 NPC1 341/4885GAA 3778/4885SMN1; SMN2 1482/4885
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists CCR3, CCR1, CCR4 NPC1 248/4885GAA 3365/4885SMN1; 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.