SCHEMBL6315618

SCHEMBL6315618

Cc1[nH]c2ccc(CCN(C)C3CCCCC3)cc2c1C(=O)OC(C)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
MDM2 Q00987 6/20 0.39
CHI3L1 P36222 1/20 0.38
CHIT1 Q13231 1/20 0.38
CHI3L2 Q15782 1/20 0.38
CHIA Q9BZP6 1/20 0.38
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PYGL P06737 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL6316780 0.92 SIGMAR1 (0.41) MDM2KMT2ALMNAMEN1ALDH1A1
SCHEMBL6317151 0.92 KMT2A (0.36) CHIT1CHIAKMT2ALMNAMEN1
SCHEMBL6316297 0.92 MAPK14 (0.40) MDM2KMT2ALMNAMEN1ALDH1A1
SCHEMBL6322114 0.90 ALDH1A1 (0.35) CHIT1CHIAKMT2ALMNAMEN1
SCHEMBL6322135 0.89 MDM2 (0.37) ALOX5MDM2CHI3L1CHIT1CHI3L2
SCHEMBL6316794 0.87 LMNA (0.39) ALOX5MDM2KMT2ALMNAMEN1
SCHEMBL6316709 0.87 LMNA (0.42) ALOX5MDM2KMT2ALMNAMEN1
SCHEMBL6316961 0.87 ALDH1A1 (0.38) KMT2ALMNAMEN1ALDH1A1MAPT
SCHEMBL6314749 0.86 ALDH1A1 (0.41) KMT2ALMNAMEN1ALDH1A1MAPT
SCHEMBL6316797 0.85 KMT2A (0.38) KMT2ALMNAMEN1ALDH1A1MAPT

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 10 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-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-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 ALOX5 812/4885MDM2 4592/4885CHI3L1 2057/4885
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 ALOX5 666/4885MDM2 4509/4885CHI3L1 1992/4885

“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.