SCHEMBL651460

SCHEMBL651460

BrCCC=C1Cc2ccccc2Oc2ncccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
ABCC4 O15439 1/20 0.33
PTGS1 P23219 1/20 0.33
HRH1 P35367 3/20 0.32
KCNH2 Q12809 2/20 0.32
HTR2B P41595 2/20 0.32
ADRA2A P08913 2/20 0.32
DRD4 P21917 2/20 0.32
HTR2A P28223 2/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC22A1 O15245 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRM5 P08912 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
SCHEMBL651458 1.00 MAOB (0.36) MAOBMAOALMNAMAPTTP53
SCHEMBL654833 0.86 EGFR (0.36) LMNAABCC4PTGS1HTR2BADRA2A
SCHEMBL654831 0.86 EGFR (0.36) LMNAABCC4PTGS1HTR2BADRA2A
SCHEMBL653837 0.81 CYP19A1 (0.34)
SCHEMBL653835 0.81 CYP19A1 (0.34)
SCHEMBL653117 0.79
SCHEMBL653118 0.79
SCHEMBL1276287 0.78
SCHEMBL653920 0.78 HTR1A (0.38) TP53HTR1ASIGMAR1
SCHEMBL653922 0.78 HTR1A (0.38) TP53HTR1ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
EP-1688418-B1 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARM INC (US) 2017-03-15 EP disclosed
US-9334283-B2 CCR1 antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-05-10 US disclosed
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 US disclosed
US-20150005338-A1 CCR1 ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-01 US disclosed
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-12-18 US disclosed
US-8653096-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
US-20130289063-A1 CCR1 ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARM INC (US) 2013-10-31 US disclosed
US-8394817-B2 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-12 US disclosed
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2012-02-23 US disclosed
US-20050288319-A1 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-12-29 US disclosed
EP-1049700-B1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARM INC (US) 2005-11-09 EP disclosed
EP-1562954-A1 CCR1 ANTAGONISTS FOR THE TREATMENT OF I.A. DEMYELINATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-08-17 EP disclosed
US-20040106639-A1 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS 2004-06-03 US disclosed
WO-2004043965-A1 CCR1 ANTAGONISTS FOR THE TREATMENT OF I.A. DEMYELINATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-05-27 WO disclosed
US-20030045516-A1 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2003-03-06 US disclosed
US-6509346-B2 Antiinflammatory agents MILLENNIUM PHARMACEUTICALS, INC. 2003-01-21 US disclosed
US-20020169155-A1 A nitrogen-ring containing triheterocyclic compound is useful for treating a disease associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2002-11-14 US disclosed
US-20020119973-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. 2002-08-29 US disclosed
US-6329385-B1 ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, VIRAL DISEASES AND GASTROINTESTINAL DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2001-12-11 US 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 (10 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-20020119973-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR CCL11, ACKR3, CXCR4 MAOB 3750/4885MAOA 4145/4885LMNA 4647/4885
US-20050288319-A1 CCR1 antagonists and methods of use therefor CCR1, CCRL2, CCR4 MAOB 4392/4885MAOA 4641/4885LMNA 4128/4885
US-20130289063-A1 CCR1 ANTAGONISTS AND METHODS OF USE THEREFOR CCR1, CCRL2, CCR4 MAOB 4392/4885MAOA 4641/4885LMNA 4128/4885
US-20020169155-A1 A nitrogen-ring containing triheterocyclic compound is useful for treating a disease associated with aberrant leukocyte recruitment and/or activation NFATC1, ELANE, NCF1 MAOB 3275/4885MAOA 4001/4885LMNA 3144/4885
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 MAOB 2798/4885MAOA 3525/4885LMNA 4626/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 MAOB 2798/4885MAOA 3525/4885LMNA 4626/4885
US-20040106639-A1 CCR1 antagonists and methods of use therefor CCR1, CCRL2, CCR4 MAOB 4517/4885MAOA 4732/4885LMNA 4038/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 MAOB 2798/4885MAOA 3525/4885LMNA 4626/4885
US-20030045516-A1 Chemokine receptor antagonists and methods of use therefor CCL11, ACKR3, CXCR4 MAOB 3774/4885MAOA 4136/4885LMNA 4648/4885
US-20150005338-A1 CCR1 ANTAGONISTS AND METHODS OF USE THEREOF CCR1, CCR3, CCR4 MAOB 3714/4885MAOA 4073/4885LMNA 3860/4885

“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.