SCHEMBL654071

SCHEMBL654071

CC(=O)c1ccc2c(c1)/C(=C/CCBr)c1cccnc1CO2

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.50
CHRM2 P08172 1/20 0.50
CCR5 P51681 1/20 0.50
TBXA2R P21731 7/20 0.44
TBXAS1 P24557 3/20 0.43

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
SCHEMBL654072 1.00 CCR1 (0.50) CCR1CHRM2CCR5TBXA2RTBXAS1
SCHEMBL15478315 0.90 CCR1 (0.46) CCR1CHRM2CCR5TBXA2RTBXAS1
SCHEMBL13804506 0.90 CCR1 (0.50) CCR1CHRM2CCR5TBXA2RTBXAS1
SCHEMBL654983 0.84 CCR1 (0.42) CCR1CHRM2CCR5TBXA2RTBXAS1
SCHEMBL654984 0.84 CCR1 (0.42) CCR1CHRM2CCR5TBXA2RTBXAS1
SCHEMBL7210953 0.84 CCR1 (0.42) CCR1CHRM2CCR5TBXA2RTBXAS1
SCHEMBL436923 0.82 CCR1 (0.59) CCR1CHRM2CCR5TBXA2R
SCHEMBL436922 0.82 CCR1 (0.59) CCR1CHRM2CCR5TBXA2R
SCHEMBL7210858 0.81 ALDH1A1 (0.42) CCR1CHRM2CCR5TBXA2R
SCHEMBL7210855 0.81 ALDH1A1 (0.42) CCR1CHRM2CCR5TBXA2R

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 56 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-9334283-B2 CCR1 antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-05-10 US 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-20150005338-A1 CCR1 ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-01 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-20080139602-A1 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-06-12 US disclosed
US-7271176-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-09-18 US disclosed
US-20070060592-A1 heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2007-03-15 US disclosed
EP-1688418-A2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-09 EP disclosed
EP-1669356-A1 CCR1 Antagonists for the treatment of i.a demyelinating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-06-14 EP disclosed
EP-1562954-B1 CCR1 ANTAGONISTS FOR THE TREATMENT OF I.A. DEMYELINATING INFLAMMATORY DISEASE MILLENNIUM PHARM INC (US) 2006-05-03 EP disclosed
EP-1448566-B1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2006-03-15 EP disclosed
US-20050288319-A1 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-12-29 US disclosed
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-31 US disclosed
US-20040106639-A1 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS 2004-06-03 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 (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-20050288319-A1 CCR1 antagonists and methods of use therefor CCR1, CCRL2, CCR4 CCR1 1/4885CHRM2 1238/4885CCR5 6/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CCR1 9/4885CHRM2 747/4885CCR5 4/4885
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof ACKR3, CXCR2, CCL11 CCR1 4/4885CHRM2 821/4885CCR5 6/4885
US-20040106639-A1 CCR1 antagonists and methods of use therefor CCR1, CCRL2, CCR4 CCR1 1/4885CHRM2 1966/4885CCR5 5/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CCR1 9/4885CHRM2 747/4885CCR5 4/4885
US-20080139602-A1 CCR1 antagonists and methods of use therefor CCR1, CCRL2, CCR4 CCR1 1/4885CHRM2 1238/4885CCR5 6/4885
US-20150005338-A1 CCR1 ANTAGONISTS AND METHODS OF USE THEREOF CCR1, CCR3, CCR4 CCR1 1/4885CHRM2 386/4885CCR5 8/4885
US-20070060592-A1 heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation THPO, NFATC1, HPGDS CCR1 19/4885CHRM2 615/4885CCR5 55/4885

“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.