SCHEMBL295502

SCHEMBL295502

CCN(C1CCNCC1)S(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.49
SLC6A4 P31645 14/20 0.49
SLC6A3 Q01959 10/20 0.49
KCNH2 Q12809 5/20 0.49
CYP2D6 P10635 4/20 0.40
DPP4 P27487 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
GABRA1 P14867 1/20 0.34
TSHR P16473 1/20 0.34
GABRG2 P18507 1/20 0.34
NFKB1 P19838 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA6 Q16445 1/20 0.34
MEN1 O00255 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
SCHEMBL18611348 0.85 DPP4 (0.44) SLC6A2SLC6A4SLC6A3KCNH2DPP4
SCHEMBL24392077 0.82 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL13770854 0.82 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL15867018 0.81 MEN1 (0.45) DPP4DPP9DPP7CYP3A4TSHR
SCHEMBL12339308 0.79 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL19425745 0.79 MEN1 (0.48) CYP2D6CYP3A4TSHRMEN1KMT2A
SCHEMBL1088404 0.77 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL18925167 0.73 MEN1 (0.38) SLC6A2DPP4DPP9DPP7LMNA
SCHEMBL7603869 0.73 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL296911 0.72 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379525-B1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INT (DE) 2015-07-29 EP disclosed
US-9067951-B2 Process and intermediates for the production of CCR2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-30 US disclosed
US-9067951-B2 Process and intermediates for the production of CCR2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-30 US disclosed
EP-2816040-A1 Process for the production of CCR2 receptor antagonists and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 EP disclosed
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-13 US disclosed
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-13 US disclosed
US-8835440-B2 Cyclic pyrimidin-4-carboxamides as CCR2 receptor antagonists for treatment of inflammation, asthma and COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-8835440-B2 Cyclic pyrimidin-4-carboxamides as CCR2 receptor antagonists for treatment of inflammation, asthma and COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-8232271-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-07-31 US disclosed
EP-2200982-B1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-03-14 EP disclosed
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS KNUST HENNER 2011-01-27 US disclosed
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS KNUST HENNER 2011-01-27 US disclosed
EP-2200982-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-30 EP disclosed
WO-2010070032-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-24 WO disclosed
US-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-05-06 US disclosed
US-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2009-03-19 US disclosed
US-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2009-03-19 US disclosed
WO-2009033995-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-03-19 WO disclosed
WO-2009033995-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-03-19 WO disclosed
US-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2009-03-19 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 (4 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-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 SLC6A2 3559/4885SLC6A4 3594/4885SLC6A3 3739/4885
US-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 SLC6A2 163/4885SLC6A4 201/4885SLC6A3 14/4885
US-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, POLR2B SLC6A2 4296/4885SLC6A4 4394/4885SLC6A3 3446/4885
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 SLC6A2 163/4885SLC6A4 201/4885SLC6A3 14/4885

“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.