SCHEMBL6322705

SCHEMBL6322705

CCN(CC)CCc1ccc2[nH]c(C)c(C(=O)OC(C)c3ccccc3Cl)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ALOX5 P09917 6/20 0.39
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR1E P28566 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37
HTR5A P47898 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
VDR P11473 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRK1 P41145 1/20 0.35
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL6323727 0.91 GAA (0.41) GAAALOX5ALDH1A1TSHRNR4A1
SCHEMBL6320591 0.90 ALOX5 (0.39) GAAALOX5HTR7HTR2BALDH1A1
SCHEMBL6315234 0.90 MAPT (0.41) GAAALOX5ALDH1A1TSHRNR4A1
SCHEMBL6315745 0.90 GAA (0.40) GAAALOX5HTR1AHTR1DHTR1B
SCHEMBL6316003 0.86 GAA (0.38) GAAALOX5ALDH1A1TSHRNR4A1
SCHEMBL6321200 0.85 SIGMAR1 (0.44) GAAALOX5HTR1AHTR1DHTR1B
SCHEMBL6317050 0.85 ALOX5 (0.43) GAAALOX5LMNASMN1; SMN2KMT2A
SCHEMBL6315052 0.84 ALOX5 (0.43) GAAALOX5HTR7HTR2BALDH1A1
SCHEMBL6315814 0.84 GAA (0.40) GAAALOX5ALDH1A1TSHRLMNA
SCHEMBL6323636 0.84 GAA (0.40) GAAALDH1A1TSHRLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951848-B2 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC., (US) 2005-10-04 US claimed
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-04-07 US claimed
EP-1377549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2004-01-07 EP claimed
US-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2003-04-03 US claimed
WO-2002072549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-09-19 WO claimed
US-6951848-B2 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC., (US) 2005-10-04 US disclosed
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
EP-1421066-A1 SULFONYLAMINO DERIVATIVES USEFUL AS HERBICIDES Syngenta Participations AG (CH) 2004-05-26 EP disclosed
EP-1377549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2004-01-07 EP disclosed
US-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2003-04-03 US disclosed
WO-2003020704-A1 SULFONYLAMINO DERIVATIVES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-03-13 WO disclosed
WO-2002072549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-09-19 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 (2 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-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 GAA 3980/4885ALOX5 812/4885HTR1A 1606/4885
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 GAA 3668/4885ALOX5 666/4885HTR1A 1872/4885

“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.