SCHEMBL10178396

SCHEMBL10178396

Cc1ccc([C@H]2CC[C@H](CN)O2)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.70
SLC6A4 P31645 11/20 0.70
SLC6A3 Q01959 10/20 0.70
CYP2A6 P11509 4/20 0.54
CYP3A4 P08684 1/20 0.54
HRH4 Q9H3N8 4/20 0.44
HRH3 Q9Y5N1 4/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL5534970 1.00 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3CYP2A6CYP3A4
SCHEMBL10178408 1.00 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3CYP2A6CYP3A4
SCHEMBL2744342 0.90 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3CYP2A6CYP3A4
SCHEMBL2744214 0.90 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3CYP2A6CYP3A4
SCHEMBL2744341 0.90 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3CYP2A6CYP3A4
SCHEMBL19726832 0.90 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3CYP2A6CYP3A4
SCHEMBL10177527 0.84 CYP2A6 (0.55) SLC6A2SLC6A4SLC6A3CYP2A6CYP3A4
SCHEMBL10178387 0.82 CYP2A6 (0.54) SLC6A2SLC6A4SLC6A3CYP2A6CYP3A4
SCHEMBL10178346 0.82 CYP2A6 (0.54) SLC6A2SLC6A4SLC6A3CYP2A6CYP3A4
SCHEMBL10178388 0.82 CYP2A6 (0.54) SLC6A2SLC6A4SLC6A3CYP2A6CYP3A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.