SCHEMBL716701

SCHEMBL716701

O=COC1CC(c2ccc(Cl)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
MAP1LC3B Q9GZQ8 1/20 0.38
HTR3A P46098 1/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A4 P31645 1/20 0.36
SRD5A1 P18405 2/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
FFAR4 Q5NUL3 2/20 0.34
DRD2 P14416 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 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
SCHEMBL918249 0.84 SLC2A1 (0.41) MAP1LC3BHTR3AHSD17B10ALDH1A1POLB
SCHEMBL8881329 0.81 KDM1A (0.38) HSD17B10KMT2AHTR2CHTR2B
SCHEMBL11664924 0.81 GAA (0.39) MAP1LC3BHSD17B10SLC6A4SLC6A2SLC6A3
SCHEMBL8880473 0.77 HRH3 (0.39) FFAR4
SCHEMBL28329005 0.74 ADRB2 (0.44) ADRB2MAP1LC3BHTR3AHSD17B10ALDH1A1
SCHEMBL12020608 0.73 HTR3A (0.47) ADRB2MAP1LC3BHTR3AHSD17B10ALDH1A1
Formic Acid SCHEMBL28032561 0.72 MAP1LC3B (0.35) ADRB2MAP1LC3BHSD17B10ALDH1A1POLB
SCHEMBL23525773 0.67 HTR3A (0.45) ADRB2MAP1LC3BHTR3AHSD17B10ALDH1A1
SCHEMBL12020436 0.67 HTR3A (0.45) ADRB2MAP1LC3BHTR3AHSD17B10ALDH1A1
SCHEMBL29992139 0.67 HTR3A (0.45) ADRB2HTR3AHSD17B10ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2816040-B1 Process for the production of CCR2 receptor antagonists and intermediates thereof CENTREXION THERAPEUTICS CORP (US) 2018-10-17 EP disclosed
WO-2018096159-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-05-31 WO disclosed
CN-103724328-B Cyclic pyrimidin-4-the methane amide of inflammation, asthma and COPD is used for the treatment of as CCR2 receptor antagonist BOEHRINGER INGELHEIM INT (DE) 2015-10-14 CN disclosed
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
CN-102256963-B Cyclic pyrimidine-4-carboxamides as CCR2 receptor antagonists for the treatment of inflammation, asthma and COPD BOEHRINGER INGELHEIM INT 2014-06-11 CN disclosed
CN-103724328-A Cyclic pyrimidin-4-carboxamides as ccr2 receptor antagonists for treatment of inflammation, asthma and copd BOEHRINGER INGELHEIM INT 2014-04-16 CN disclosed
US-20130324517-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-05 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
EP-2379525-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD Boehringer Ingelheim International GmbH (DE) 2011-10-26 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 ADRB2 63/4885MAP1LC3B 3632/4885HTR3A 909/4885
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 ADRB2 122/4885MAP1LC3B 3750/4885HTR3A 458/4885
US-20130324517-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD CCR2, CCR5, CCR1 ADRB2 100/4885MAP1LC3B 2883/4885HTR3A 1045/4885

“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.