SCHEMBL10177982

SCHEMBL10177982

CO[C@@H]1COCC[C@@H]1NC1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
CCR2 P41597 15/20 0.38
KCNH2 Q12809 4/20 0.35
CISD1 Q9NZ45 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL13346956 1.00 KDM1A (0.38) KDM1AMAOBMAOACCR2KCNH2
SCHEMBL3072387 1.00 KDM1A (0.38) KDM1AMAOBMAOACCR2KCNH2
SCHEMBL3055448 1.00 KDM1A (0.38) KDM1AMAOBMAOACCR2KCNH2
SCHEMBL30393244 0.85 CCR2 (0.43) CCR2KCNH2
SCHEMBL26060523 0.76 CCR2 (0.39) CCR2KCNH2
SCHEMBL12180325 0.75 KDM1A (0.36) KDM1AMAOBMAOACCR2CISD1
SCHEMBL12180331 0.75 KDM1A (0.36) KDM1AMAOBMAOACCR2CISD1
SCHEMBL3044092 0.75 KDM1A (0.36) KDM1AMAOBMAOACCR2CISD1
SCHEMBL2198827 0.73 OPRL1 (0.36) CCR2
SCHEMBL2198829 0.73 OPRL1 (0.36) CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731981-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-22 US disclosed
US-20220002310-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2022-01-06 US disclosed
US-11046706-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2021-06-29 US disclosed
US-20190300541-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2019-10-03 US disclosed
EP-2731941-B1 NOVEL AND SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2019-05-08 EP disclosed
US-10196402-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2019-02-05 US disclosed
EP-3091012-B1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CENTREXION THERAPEUTICS CORP (US) 2018-04-11 EP disclosed
US-20170362249-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2017-12-21 US disclosed
US-9670222-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2017-06-06 US disclosed
EP-3091012-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF Centrexion Therapeutics Corporation (US) 2016-11-09 EP 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
US-20120004252-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 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-2011141474-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-17 WO disclosed
WO-2011141477-A1 NEW CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-17 WO disclosed
WO-2011073154-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-23 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 (8 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-20190300541-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 KDM1A 3959/4885MAOB 3141/4885MAOA 3116/4885
US-20120053164-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD CCR2, CCR1, CCR5 KDM1A 3356/4885MAOB 2360/4885MAOA 2383/4885
US-11046706-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 KDM1A 3959/4885MAOB 3141/4885MAOA 3116/4885
US-20120004252-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 KDM1A 3919/4885MAOB 3349/4885MAOA 3193/4885
US-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 KDM1A 3959/4885MAOB 3141/4885MAOA 3116/4885
US-10196402-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 KDM1A 3959/4885MAOB 3141/4885MAOA 3116/4885
US-20170362249-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 KDM1A 3919/4885MAOB 3349/4885MAOA 3193/4885
US-20220002310-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 KDM1A 3959/4885MAOB 3141/4885MAOA 3116/4885

“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.