SCHEMBL6322135

SCHEMBL6322135

Cc1[nH]c2ccc(CCN(C)C3CCCCC3)cc2c1C(=O)OC(C)c1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.37
ALOX5 P09917 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PYGL P06737 5/20 0.35
CHI3L1 P36222 1/20 0.35
CHIT1 Q13231 1/20 0.35
CHI3L2 Q15782 1/20 0.35
CHIA Q9BZP6 1/20 0.35
POLB P06746 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
HTR6 P50406 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
SCHEMBL6316709 0.91 LMNA (0.42) MDM2ALOX5MEN1KMT2AALDH1A1
SCHEMBL6315618 0.89 ALOX5 (0.39) MDM2ALOX5MEN1KMT2AALDH1A1
SCHEMBL6323871 0.87 KMT2A (0.37) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6316780 0.87 SIGMAR1 (0.41) MDM2MEN1KMT2AALDH1A1LMNA
SCHEMBL6316794 0.87 LMNA (0.39) MDM2ALOX5MEN1KMT2AALDH1A1
SCHEMBL6317350 0.86 ALDH1A1 (0.41) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6315810 0.85 KMT2A (0.37) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6321225 0.85 MAPT (0.40) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6315018 0.85 KMT2A (0.36) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6320591 0.84 ALOX5 (0.39) ALOX5MEN1KMT2AALDH1A1LMNA

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 8 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
US-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2003-04-03 US 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 MDM2 4592/4885ALOX5 812/4885MEN1 4058/4885
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 MDM2 4509/4885ALOX5 666/4885MEN1 4333/4885

“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.