SCHEMBL583822

SCHEMBL583822

CCOC(=O)c1cc(-c2nnnn2C)cc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
MAPT P10636 8/20 0.44
POLB P06746 1/20 0.43
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
AR P10275 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 2/20 0.40
ALOX12 P18054 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KCNMA1 Q12791 1/20 0.39
ELANE P08246 1/20 0.39

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
SCHEMBL4604673 0.88 MEN1 (0.45) NPC1MAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL4605870 0.85 SMN1; SMN2 (0.38) NPC1MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL4604452 0.84 SMN1; SMN2 (0.43) MAPTSMN1; SMN2MITFALDH1A1MEN1
SCHEMBL4604051 0.81 ALDH1A1 (0.42) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL583983 0.81 NPC1 (0.47) NPC1MAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL8076355 0.78 NPC1 (0.79) NPC1MAPTKCNJ1KCNH2SMN1; SMN2
SCHEMBL1114367 0.78 NPC1 (0.79) NPC1MAPTKCNJ1KCNH2SMN1; SMN2
SCHEMBL1740624 0.77 TSHR (0.50) NPC1MAPTPOLBSMN1; SMN2MITF
SCHEMBL4606507 0.77 SMN1; SMN2 (0.43) NPC1MAPTPOLBSMN1; SMN2MITF
SCHEMBL19475023 0.76 NPC1 (0.60) NPC1MAPTKCNJ1KCNH2ALDH1A1

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 8 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
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 341/4885MAPT 3783/4885POLB 4121/4885
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists CCR3, CCR1, CCR4 NPC1 248/4885MAPT 3790/4885POLB 3997/4885

“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.