SCHEMBL10178433

SCHEMBL10178433

NC[C@H]1CC[C@@H](c2cccc(C(F)(F)F)c2)O1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.60
SLC6A4 P31645 7/20 0.60
SLC6A3 Q01959 7/20 0.60
HTR2C P28335 3/20 0.52
CYP2A6 P11509 2/20 0.52
HTR2B P41595 2/20 0.52
CYP3A4 P08684 1/20 0.52
HTR2A P28223 1/20 0.52
KIF11 P52732 1/20 0.49
HTR1A P08908 2/20 0.47
KDM1A O60341 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
PSEN1 P49768 1/20 0.43
CHRM2 P08172 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL10178392 1.00 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3HTR2CCYP2A6
SCHEMBL10179273 1.00 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3HTR2CCYP2A6
SCHEMBL20040056 0.92 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3HTR2CCYP2A6
SCHEMBL2744819 0.92 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3HTR2CCYP2A6
SCHEMBL2744842 0.92 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3HTR2CCYP2A6
SCHEMBL2744838 0.92 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3HTR2CCYP2A6
SCHEMBL15629929 0.86 CYP2A6 (0.52) SLC6A2SLC6A4SLC6A3HTR2CCYP2A6
SCHEMBL10178333 0.86 CYP2A6 (0.52) SLC6A2SLC6A4SLC6A3HTR2CCYP2A6
SCHEMBL10178992 0.86 CYP2A6 (0.52) SLC6A2SLC6A4SLC6A3HTR2CCYP2A6
SCHEMBL10178352 0.86 CYP2A6 (0.52) SLC6A2SLC6A4SLC6A3HTR2CCYP2A6

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 11 patents. 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-20120053164-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 US disclosed
US-20120053164-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 US 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

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-20120053164-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD CCR2, CCR1, CCR5 SLC6A2 3577/4885SLC6A4 3872/4885SLC6A3 4309/4885
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 SLC6A2 3559/4885SLC6A4 3594/4885SLC6A3 3739/4885

“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.