SCHEMBL12180331

SCHEMBL12180331

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.36
MAOB P27338 3/20 0.36
CISD1 Q9NZ45 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
CCR2 P41597 11/20 0.33
MAOA P21397 1/20 0.32

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
SCHEMBL12180325 1.00 KDM1A (0.36) KDM1AMAOBCISD1SLC6A2HTR1B
SCHEMBL3044092 1.00 KDM1A (0.36) KDM1AMAOBCISD1SLC6A2HTR1B
SCHEMBL20670920 0.76
SCHEMBL20670657 0.75 KDM1A (0.34) KDM1AMAOBMAOA
SCHEMBL31048836 0.75 KDM1A (0.34) KDM1AMAOBMAOA
SCHEMBL34470892 0.75 EPHX1 (0.35) KDM1AMAOBCISD1SLC6A2HTR1B
SCHEMBL28363635 0.75 EPHX1 (0.35) KDM1AMAOBCISD1SLC6A2HTR1B
SCHEMBL28363633 0.75 EPHX1 (0.35) KDM1AMAOBCISD1SLC6A2HTR1B
SCHEMBL3055448 0.75 KDM1A (0.38) KDM1AMAOBCISD1SLC6A2HTR1B
SCHEMBL13346956 0.75 KDM1A (0.38) KDM1AMAOBCISD1SLC6A2HTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2731941-B1 NOVEL AND SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2019-05-08 EP disclosed
EP-2569298-B1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-11-25 EP disclosed
US-8946218-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
US-8946218-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
EP-2569295-B1 NEW CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-8877745-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-8877745-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-20130172348-A1 NOVEL AND SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 US disclosed
US-20130172348-A1 NOVEL AND SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 US disclosed
US-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-16 US disclosed
US-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-16 US disclosed
US-20130090338-A1 NEW CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-11 US disclosed
WO-2013010839-A1 NOVEL AND SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 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-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

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-20130172348-A1 NOVEL AND SELECTIVE CCR2 ANTAGONISTS CCR2, CXCR2, CCRL2 KDM1A 3921/4885MAOB 3935/4885CISD1 981/4885
US-20130090338-A1 NEW CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS CCR2, CCRL2, CXCR2 KDM1A 3687/4885MAOB 3721/4885CISD1 1393/4885
US-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS CCR2, CXCR2, CYSLTR2 KDM1A 4318/4885MAOB 2012/4885CISD1 1050/4885

“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.