SCHEMBL3073157

SCHEMBL3073157

Cn1nnnc1-c1cc(Br)cc(C(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37
PARP1 P09874 1/20 0.36
CCR3 P51677 3/20 0.35
CYP2D6 P10635 2/20 0.35
SYK P43405 1/20 0.34
BRD4 O60885 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
KMO O15229 1/20 0.34
MKNK1 Q9BUB5 3/20 0.33
MKNK2 Q9HBH9 3/20 0.33
CYP1A2 P05177 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL12480803 0.82 CFD (0.40) SMN1; SMN2HIF1ANPSR1RXFP1PARP1
SCHEMBL3377975 0.78 PARP1 (0.51) SMN1; SMN2HIF1ANPSR1RXFP1PARP1
SCHEMBL3375136 0.77 ABCC9 (0.50) SMN1; SMN2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL583651 0.77 SMN1; SMN2 (0.53) SMN1; SMN2HIF1ANPSR1RXFP1ABCC9
SCHEMBL4603388 0.72 SMN1; SMN2 (0.47) SMN1; SMN2HIF1ANPSR1RXFP1ABCC9
SCHEMBL584214 0.71 SMN1; SMN2 (0.46) SMN1; SMN2HIF1ANPSR1RXFP1
SCHEMBL4606174 0.70 SMN1; SMN2 (0.51) SMN1; SMN2HIF1ANPSR1RXFP1ABCC9
SCHEMBL15262236 0.70 SMN1; SMN2 (0.59) SMN1; SMN2HIF1ANPSR1RXFP1ABCC9
SCHEMBL3348705 0.70 SMN1; SMN2 (0.44) SMN1; SMN2HIF1ANPSR1RXFP1ABCC9
SCHEMBL4606149 0.69 ATAD2 (0.51) SMN1; SMN2HIF1ANPSR1RXFP1ABCC9

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 7 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

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 SMN1; SMN2 1482/4885HIF1A 2783/4885NPSR1 136/4885
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists CCR3, CCR1, CCR4 SMN1; SMN2 1205/4885HIF1A 2135/4885NPSR1 124/4885

“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.