SCHEMBL654521

SCHEMBL654521

CCCCC(CC)C(=O)N(Cc1ccc(Cl)cc1)C1CCN(CCC=C2c3cc(C(C)(C)O)ccc3OCc3ncccc32)C1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.55
CHRM2 P08172 1/20 0.46
CCR5 P51681 1/20 0.46
UBE2M P61081 11/20 0.33
DCUN1D1 Q96GG9 11/20 0.33
HRH1 P35367 2/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
MCHR1 Q99705 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
SCHEMBL656211 0.92 CCR1 (0.57) CCR1CHRM2CCR5UBE2MDCUN1D1
SCHEMBL656212 0.92 CCR1 (0.57) CCR1CHRM2CCR5UBE2MDCUN1D1
SCHEMBL15478322 0.92 CCR1 (0.58) CCR1CHRM2CCR5UBE2MDCUN1D1
SCHEMBL654317 0.92 CCR1 (0.58) CCR1CHRM2CCR5UBE2MDCUN1D1
SCHEMBL654316 0.92 CCR1 (0.58) CCR1CHRM2CCR5UBE2MDCUN1D1
SCHEMBL654611 0.90 CCR1 (0.59) CCR1CHRM2CCR5UBE2MDCUN1D1
SCHEMBL15478319 0.90 CCR1 (0.59) CCR1CHRM2CCR5UBE2MDCUN1D1
SCHEMBL654612 0.90 CCR1 (0.59) CCR1CHRM2CCR5UBE2MDCUN1D1
SCHEMBL654897 0.90 CCR1 (0.60) CCR1CHRM2CCR5UBE2MDCUN1D1
SCHEMBL654898 0.90 CCR1 (0.60) CCR1CHRM2CCR5UBE2MDCUN1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1688418-B1 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARM INC (US) 2017-03-15 EP disclosed
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2012-02-23 US disclosed
US-8058287-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
EP-2286811-A1 Chemokine receptor antagonists and methods of use thereof Millennium Pharmaceuticals, Inc. (US) 2011-02-23 EP disclosed
US-7271176-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-09-18 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 (1 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-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CCR1 9/4885CHRM2 747/4885CCR5 4/4885

“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.