SCHEMBL403450

SCHEMBL403450

CC(C)(O)c1ccc2c(c1)/C(=C/CCN1CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C1)c1cccnc1CO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 15/20 1.00
▸ CHRM2 P08172 1/20 0.52
▸ CCR5 P51681 1/20 0.52
▸ NR1I2 O75469 1/20 0.32
▸ HRH1 P35367 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MDM2 Q00987 1/20 0.31

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
SCHEMBL438264 1.00 CCR1 (1.00) CCR1CHRM2CCR5NR1I2HRH1
SCHEMBL653493 1.00 CCR1 (1.00) CCR1CHRM2CCR5NR1I2HRH1
SCHEMBL12121747 1.00 CCR1 (1.00) CCR1CHRM2CCR5NR1I2HRH1
SCHEMBL438487 1.00 CCR1 (1.00) CCR1CHRM2CCR5NR1I2HRH1
SCHEMBL438265 1.00 CCR1 (1.00) CCR1CHRM2CCR5NR1I2HRH1
SCHEMBL653494 1.00 CCR1 (1.00) CCR1CHRM2CCR5NR1I2HRH1
SCHEMBL438488 1.00 CCR1 (1.00) CCR1CHRM2CCR5NR1I2HRH1
SCHEMBL29395513 1.00 CCR1 (1.00) CCR1CHRM2CCR5NR1I2HRH1
SCHEMBL13620905 1.00 CCR1 (1.00) CCR1CHRM2CCR5NR1I2HRH1
SCHEMBL10287989 0.95 CCR1 (0.91) CCR1CHRM2CCR5HRH1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481737-B2 Solid forms of a chemokine receptor antagonist and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-07-09 — — US disclosed
US-8481737-B2 Solid forms of a chemokine receptor antagonist and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-07-09 — — US disclosed
US-20130040979-A1 CCR1 INHIBITORS USEFUL FOR THE TREAMENT OF MULTIPLE MYELOMA AND OTHER DISORDERS MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-14 — — US disclosed
US-20130040979-A1 CCR1 INHIBITORS USEFUL FOR THE TREAMENT OF MULTIPLE MYELOMA AND OTHER DISORDERS MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-14 — — US disclosed
US-20130040979-A1 CCR1 INHIBITORS USEFUL FOR THE TREAMENT OF MULTIPLE MYELOMA AND OTHER DISORDERS MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-14 — — US disclosed
US-20120065223-A1 SOLID FORMS OF A CHEMOKINE RECEPTOR ANTAGONIST AND METHODS OF USE THEREOF NEVES CAROLE (FR) 2012-03-15 — — US disclosed
US-7960549-B2 Solid forms of a chemokine receptor antagonist and methods of use thereof NEVES CAROLE 2011-06-14 — — US disclosed
US-20110021777-A1 PROCESS IMPROVEMENT MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-27 — — US disclosed
US-20110021777-A1 PROCESS IMPROVEMENT MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-27 — — US disclosed
US-20100280247-A1 PROCESS IMPROVEMENT USING TMEDA MILLENNIUM PHARMACEUTICALS INC. (US) 2010-11-04 — — US disclosed
US-20100280247-A1 PROCESS IMPROVEMENT USING TMEDA MILLENNIUM PHARMACEUTICALS INC. (US) 2010-11-04 — — US disclosed
US-20090286823-A1 CCR1 Inhibitors useful for the treatment of multiple myeloma and other disorders MILLENNIUM PHARMACEUTICALS INC. (US) 2009-11-19 — — US disclosed
US-20090286823-A1 CCR1 Inhibitors useful for the treatment of multiple myeloma and other disorders MILLENNIUM PHARMACEUTICALS INC. (US) 2009-11-19 — — US disclosed
WO-2009073462-A1 PROCESS FOR THE PREPARATION OF 5-CYCLOPROPYL-5, 11-DIHYDRO (1) BENZOXEPINO (3, 4-B) -PYRIDIN-5-OL USING TMEDA MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-06-11 — — WO disclosed
WO-2009070556-A1 PROCESS IMPROVEMENT MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-06-04 — — WO disclosed
US-20070010545-A1 Solid forms of a chemokine receptor antagonist and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2007-01-11 — — 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 (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-20110021777-A1 PROCESS IMPROVEMENT PARP3, BRD3, CYP4F3 CCR1 4394/4885CHRM2 4334/4885CCR5 3479/4885
US-20090286823-A1 CCR1 Inhibitors useful for the treatment of multiple myeloma and other disorders CCR1, CCR3, CCR4 CCR1 1/4885CHRM2 4457/4885CCR5 12/4885
US-20100280247-A1 PROCESS IMPROVEMENT USING TMEDA TMED7, TMED9, TMED2 CCR1 4542/4885CHRM2 4855/4885CCR5 4632/4885
US-20120065223-A1 SOLID FORMS OF A CHEMOKINE RECEPTOR ANTAGONIST AND METHODS OF USE THEREOF CCR1, CXCR1, CCR5 CCR1 1/4885CHRM2 690/4885CCR5 3/4885
US-20070010545-A1 Solid forms of a chemokine receptor antagonist and methods of use thereof CCR1, CXCR1, CCR5 CCR1 1/4885CHRM2 690/4885CCR5 3/4885
US-20130040979-A1 CCR1 INHIBITORS USEFUL FOR THE TREAMENT OF MULTIPLE MYELOMA AND OTHER DISORDERS CCR1, CCR3, CCR4 CCR1 1/4885CHRM2 4696/4885CCR5 12/4885

“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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