SCHEMBL10232173

SCHEMBL10232173

Cc1c(NCC2CCC(c3cccc(C(F)(F)F)c3)O2)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.54
CCRL2 O00421 1/20 0.41
CACNA1B Q00975 5/20 0.39
CCR5 P51681 5/20 0.38
TRPV4 Q9HBA0 1/20 0.36
PSEN1 P49768 1/20 0.35
NR1I2 O75469 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL16938567 1.00 CCR2 (0.54) CCR2CCRL2CACNA1BCCR5TRPV4
SCHEMBL10230513 1.00 CCR2 (0.54) CCR2CCRL2CACNA1BCCR5TRPV4
SCHEMBL15849382 0.96 CCR2 (0.53) CCR2CCRL2CACNA1BCCR5TRPV4
SCHEMBL26007472 0.96 CCR2 (0.53) CCR2CCRL2CACNA1BCCR5TRPV4
SCHEMBL3046871 0.96 CCR2 (0.53) CCR2CCRL2CACNA1BCCR5TRPV4
SCHEMBL10232499 0.92 CCR2 (0.53) CCR2CCRL2CCR5KMT2AMEN1
SCHEMBL10232163 0.92 CCR2 (0.55) CCR2CCRL2CACNA1BCCR5PSEN1
SCHEMBL10230532 0.92 CCR2 (0.55) CCR2CCRL2CACNA1BCCR5PSEN1
SCHEMBL13345908 0.92 CCR2 (0.55) CCR2CCRL2CACNA1BCCR5PSEN1
SCHEMBL16938568 0.92 CCR2 (0.53) CCR2CCRL2CCR5KMT2AMEN1

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 8 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
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-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
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 CCR2 1/4885CCRL2 8/4885CACNA1B 3387/4885
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 CCR2 1/4885CCRL2 4/4885CACNA1B 4211/4885

“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.