SCHEMBL2201838

SCHEMBL2201838

CC1(C)CN(CCC=C2c3cc(C(=O)O)ccc3OCc3c2ccc[n+]3[O-])CC[C@@]1(O)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 6/20 0.57
▸ CHRM2 P08172 1/20 0.49
▸ CCR5 P51681 1/20 0.49
▸ HRH1 P35367 2/20 0.44
▸ TBXA2R P21731 3/20 0.39

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
SCHEMBL13620885 1.00 CCR1 (0.57) CCR1CHRM2CCR5HRH1TBXA2R
SCHEMBL2200251 1.00 CCR1 (0.57) CCR1CHRM2CCR5HRH1TBXA2R
SCHEMBL14703475 1.00 CCR1 (0.57) CCR1CHRM2CCR5HRH1TBXA2R
SCHEMBL2200099 1.00 CCR1 (0.57) CCR1CHRM2CCR5HRH1TBXA2R
SCHEMBL2200706 1.00 CCR1 (0.57) CCR1CHRM2CCR5HRH1TBXA2R
SCHEMBL656152 0.94 CCR1 (0.57) CCR1CHRM2CCR5HRH1TBXA2R
SCHEMBL3250399 0.90 CCR1 (0.55) CCR1CHRM2CCR5HRH1
SCHEMBL3249326 0.90 CCR1 (0.55) CCR1CHRM2CCR5HRH1
SCHEMBL6859704 0.89 CCR1 (0.57) CCR1CHRM2CCR5HRH1
SCHEMBL13620890 0.88 CCR1 (0.47) CCR1CHRM2CCR5HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334283-B2 CCR1 antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-05-10 — — US claimed
US-20150005338-A1 CCR1 ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-01 — — US claimed
US-8394817-B2 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-12 — — US claimed
US-20110230516-A1 CCR1 Antagonists and Methods of Use Therefor MILLENNIUM PHARMACEUTICALS, INC. 2011-09-22 — — US claimed
US-7977350-B2 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-07-12 — — US claimed
EP-1669356-B1 CCR1 Antagonists for the treatment of i.a demyelinating inflammatory disease MILLENNIUM PHARM INC (US) 2010-05-19 — — EP claimed
US-9334283-B2 CCR1 antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-05-10 — — US disclosed
US-20150005338-A1 CCR1 ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-01 — — 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-20110230516-A1 CCR1 Antagonists and Methods of Use Therefor MILLENNIUM PHARMACEUTICALS, INC. 2011-09-22 — — US disclosed
US-7977350-B2 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-07-12 — — US disclosed
US-7977350-B2 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-07-12 — — US disclosed
US-7732459-B2 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-08 — — US disclosed
EP-1669356-B1 CCR1 Antagonists for the treatment of i.a demyelinating inflammatory disease MILLENNIUM PHARM INC (US) 2010-05-19 — — EP disclosed
US-20080139602-A1 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-06-12 — — US 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
US-20050288319-A1 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-12-29 — — 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 (6 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-20130289063-A1 CCR1 ANTAGONISTS AND METHODS OF USE THEREFOR CCR1, CCRL2, CCR4 CCR1 1/4885CHRM2 1238/4885CCR5 6/4885
US-20040106639-A1 CCR1 antagonists and methods of use therefor CCR1, CCRL2, CCR4 CCR1 1/4885CHRM2 1966/4885CCR5 5/4885
US-20080139602-A1 CCR1 antagonists and methods of use therefor CCR1, CCRL2, CCR4 CCR1 1/4885CHRM2 1238/4885CCR5 6/4885
US-20110230516-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

“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.

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