SCHEMBL2537192

SCHEMBL2537192

CC(C)(C)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.50
CCR5 P51681 3/20 0.50
CCR8 P51685 3/20 0.50
TRPV1 Q8NER1 1/20 0.50
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
METAP2 P50579 1/20 0.49
KDM4E B2RXH2 6/20 0.48
LMNA P02545 3/20 0.48
TP53 P04637 2/20 0.48
ALOX15 P16050 2/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALPL P05186 1/20 0.48
HSP90AA1 P07900 1/20 0.48
ALPI P09923 1/20 0.48
ALPG P10696 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL17725300 0.90 CCR1 (0.50) CCR1CCR5CCR8TRPV1ABL1
SCHEMBL9958394 0.90 TRPV1 (0.48) CCR1CCR5CCR8TRPV1ABL1
SCHEMBL27128937 0.89 TRPV1 (0.45) CCR1CCR5CCR8TRPV1ABL1
SCHEMBL10154081 0.88 ABL1 (0.50) CCR1CCR5CCR8TRPV1ABL1
SCHEMBL2007559 0.86 CCR1 (0.64) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL13311187 0.86 CCR1 (0.64) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL29660049 0.86 CCR1 (0.64) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL12524042 0.84 TRPV1 (0.64) CCR1CCR5CCR8TRPV1ABL1
SCHEMBL15764464 0.84 CCR1 (0.58) CCR1CCR5CCR8TRPV1ABL1
SCHEMBL18489879 0.84 CCR1 (0.62) CCR1CCR5CCR8KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044013-B2 Complex of manganese, titanium, nickel, copper, cobalt, iron and ligands BASF SE (DE) 2011-10-25 US disclosed
US-8044013-B2 Complex of manganese, titanium, nickel, copper, cobalt, iron and ligands BASF SE (DE) 2011-10-25 US disclosed
US-8044013-B2 Complex of manganese, titanium, nickel, copper, cobalt, iron and ligands BASF SE (DE) 2011-10-25 US disclosed
US-7692004-B2 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-04-06 US disclosed
US-7692004-B2 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-04-06 US disclosed
US-7692004-B2 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-04-06 US disclosed
US-20090189119-A1 Use of metal complex compounds comprising pyridine pyrimidine or s-triazine derived ligands as catalysts for oxidations with organic peroxy acids and/or precursors of organic peroxy acids and h202 WIEPRECHT TORSTEN 2009-07-30 US disclosed
US-20090189119-A1 Use of metal complex compounds comprising pyridine pyrimidine or s-triazine derived ligands as catalysts for oxidations with organic peroxy acids and/or precursors of organic peroxy acids and h202 WIEPRECHT TORSTEN 2009-07-30 US disclosed
US-20090189119-A1 Use of metal complex compounds comprising pyridine pyrimidine or s-triazine derived ligands as catalysts for oxidations with organic peroxy acids and/or precursors of organic peroxy acids and h202 WIEPRECHT TORSTEN 2009-07-30 US disclosed
US-20090068282-A1 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORPORATION 2009-03-12 US disclosed
US-20060264633-A1 Use of metal complex compounds as oxidation catalysts SCHLINGLOFF GUNTHER 2006-11-23 US disclosed
EP-1703977-A1 USE OF A COMPOSITION COMPRISING METAL COMPLEX COMPOUNDS AND POLYPHOSPHONATES AS CATALYSTS FOR OXIDATIONS Ciba SC Holding AG (CH) 2006-09-27 EP disclosed
EP-1383857-B1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA SC HOLDING AG (CH) 2006-05-31 EP disclosed
US-20060019853-A1 Use of metal complex compounds as catalysts for oxidation using molecular oxygen or air CIBA SPECIALTY CHEMICALS CORP. 2006-01-26 US disclosed
WO-2005068075-A1 USE OF A COMPOSITION COMPRISING METAL COMPLEX COMPOUNDS AND POLYPHOSPHONATES AS CATALYSTS FOR OXIDATIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-07-28 WO disclosed
EP-1556468-A1 USE OF METAL COMPLEX COMPOUNDS AS CATALYSTS FOR OXIDATION USING MOLECULAR OXYGEN OR AIR Ciba SC Holding AG (CH) 2005-07-27 EP disclosed
US-20040142843-A1 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORP. 2004-07-22 US disclosed
WO-2004039933-A1 USE OF METAL COMPLEX COMPOUNDS AS CATALYSTS FOR OXIDATION USING MOLECULAR OXYGEN OR AIR CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-05-13 WO disclosed
EP-1383857-A2 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS Ciba SC Holding AG (CH) 2004-01-28 EP disclosed
WO-2002088289-A2 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-11-07 WO 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 (3 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-20060264633-A1 Use of metal complex compounds as oxidation catalysts MICOS13, MLX, SOD1 CCR1 1360/4885CCR5 676/4885CCR8 984/4885
US-20060019853-A1 Use of metal complex compounds as catalysts for oxidation using molecular oxygen or air COX14, MICOS13, OR10J3 CCR1 1334/4885CCR5 858/4885CCR8 883/4885
US-20090068282-A1 Use of metal complex compounds as oxidation catalysts MICOS13, MLX, SOD1 CCR1 1334/4885CCR5 641/4885CCR8 930/4885

“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.