SCHEMBL583945

SCHEMBL583945

Cn1nnnc1-c1cc(N)cc(CO)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
CCR3 P51677 8/20 0.38
CYP1A2 P05177 2/20 0.34
PTGS2 P35354 1/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KMO O15229 1/20 0.33

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
SCHEMBL6079068 0.94 SMN1; SMN2 (0.44) SMN1; SMN2CCR3CYP1A2PTGS2ABCC9
SCHEMBL5345851 0.86 SMN1; SMN2 (0.50) SMN1; SMN2CCR3CYP1A2
SCHEMBL13252747 0.85 SMN1; SMN2 (0.49) SMN1; SMN2CCR3CYP1A2ABCC9ABCC8
SCHEMBL584093 0.79 SMN1; SMN2 (0.56) SMN1; SMN2CCR3CYP1A2ABCC9ABCC8
SCHEMBL583651 0.76 SMN1; SMN2 (0.53) SMN1; SMN2CCR3CYP1A2ABCC9ABCC8
SCHEMBL4606507 0.76 SMN1; SMN2 (0.43) SMN1; SMN2CCR3CYP1A2PTGS2ALDH1A1
SCHEMBL4603388 0.75 SMN1; SMN2 (0.47) SMN1; SMN2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4604449 0.74 SMN1; SMN2 (0.50) SMN1; SMN2CCR3ALDH1A1KMO
SCHEMBL14387911 0.74 SMN1; SMN2 (0.58) SMN1; SMN2CCR3CYP1A2ALDH1A1
SCHEMBL13225982 0.73 SMN1; SMN2 (0.49) SMN1; SMN2CCR3ABCC9ABCC8KCNJ11

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 16 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
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
US-20060069128-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity DUNCIA JOHN V 2006-03-30 US disclosed
US-6992091-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-31 US disclosed
EP-1545524-A2 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY. Bristol-Myers Squibb Company (US) 2005-06-29 EP disclosed
US-20040082616-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-04-29 US disclosed
WO-2004024682-A2 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY. BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-25 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 (5 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 SMN1; SMN2 4305/4885CCR3 1/4885CYP1A2 1758/4885
US-20060069128-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity ACKR3, CCL11, CCR2 SMN1; SMN2 4237/4885CCR3 13/4885CYP1A2 4168/4885
US-20040082616-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity ACKR3, CCL11, CCR2 SMN1; SMN2 4237/4885CCR3 13/4885CYP1A2 4168/4885
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS CCR3, CCR1, CCR4 SMN1; SMN2 1482/4885CCR3 1/4885CYP1A2 2935/4885
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists CCR3, CCR1, CCR4 SMN1; SMN2 1205/4885CCR3 1/4885CYP1A2 2839/4885

“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.