SCHEMBL10177698

SCHEMBL10177698

NC[C@H]1CCC[C@@H](c2ccccc2)C1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.44
HTR2B P41595 3/20 0.44
HTR2A P28223 2/20 0.44
MAOB P27338 2/20 0.44
KDM1A O60341 1/20 0.44

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
SCHEMBL10177740 1.00 HTR2C (0.44) HTR2CHTR2BHTR2AMAOBKDM1A
SCHEMBL10177712 1.00 HTR2C (0.44) HTR2CHTR2BHTR2AMAOBKDM1A
SCHEMBL10177735 1.00 HTR2C (0.44) HTR2CHTR2BHTR2AMAOBKDM1A
SCHEMBL16368646 1.00 HTR2C (0.44) HTR2CHTR2BHTR2AMAOBKDM1A
SCHEMBL10177737 1.00 HTR2C (0.44) HTR2CHTR2BHTR2AMAOBKDM1A
SCHEMBL16369158 1.00 HTR2C (0.44) HTR2CHTR2BHTR2AMAOBKDM1A
SCHEMBL10177715 0.89 MAOB (0.50) HTR2CHTR2BHTR2AMAOBKDM1A
SCHEMBL27836363 0.83 KDM1A (0.44) MAOBKDM1A
SCHEMBL10177708 0.82 HTR2A (0.46) HTR2CHTR2BHTR2A
SCHEMBL10177697 0.82 SLC6A2 (0.47) HTR2CHTR2BHTR2AKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576538-B1 New CCR2 antagonists BOEHRINGER INGELHEIM INT (DE) 2015-10-28 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-2513086-B1 NOVEL ANTAGONISTS FOR CCR2 AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed
US-9018212-B2 Pyridazine carboxamides as CCR2 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-28 US disclosed
US-9018212-B2 Pyridazine carboxamides as CCR2 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-28 US disclosed
EP-2576542-B1 Cyclic amide derivatives of pyridazine-3-carboxylic acids and their use in the treatment of pulmonary, pain, immune related and cardiovascular diseases BOEHRINGER INGELHEIM INT (DE) 2015-04-22 EP disclosed
US-8962656-B2 CCR2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-24 US disclosed
US-8962656-B2 CCR2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-24 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-20130217728-A1 NEW CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-22 US disclosed
US-20130217728-A1 NEW CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-22 US disclosed
US-20130143905-A1 NOVEL ANTAGONISTS FOR CCR2 AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 US disclosed
US-20130143905-A1 NOVEL ANTAGONISTS FOR CCR2 AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 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-2011151251-A1 NEW CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-08 WO disclosed
WO-2011147772-A1 CCR2 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 WO disclosed
WO-2011073155-A1 NOVEL ANTAGONISTS FOR CCR2 AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-23 WO 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 (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-20120053164-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD CCR2, CCR1, CCR5 HTR2C 267/4885HTR2B 537/4885HTR2A 892/4885
US-20130143905-A1 NOVEL ANTAGONISTS FOR CCR2 AND USES THEREOF CCR2, CCR1, CCRL2 HTR2C 823/4885HTR2B 1096/4885HTR2A 933/4885
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 HTR2C 423/4885HTR2B 612/4885HTR2A 474/4885
US-20130217728-A1 NEW CCR2 ANTAGONISTS CCR2, CCR1, CCRL2 HTR2C 774/4885HTR2B 1017/4885HTR2A 836/4885

“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.