SCHEMBL6314367

SCHEMBL6314367

CCC(Cl)C(=O)N(CC)CC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.33
DPP4 P27487 1/20 0.33
HTT P42858 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
HTR1A P08908 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL3338152 0.83 LMNA (0.36) LMNAMMP1MMP2MMP3MMP8
SCHEMBL9388840 0.79 LMNA (0.33) LMNAMMP1MMP2MMP3MMP8
SCHEMBL11897019 0.79 LMNA (0.40) LMNAMMP1MMP2MMP3MMP8
SCHEMBL9382248 0.78 LMNA (0.32) LMNAMMP1MMP2MMP3MMP8
SCHEMBL2921860 0.77 LMNA (0.39) LMNAMMP1MMP2MMP3MMP8
SCHEMBL10671732 0.77 LMNA (0.39) LMNAMMP1MMP2MMP3MMP8
SCHEMBL11624551 0.77
SCHEMBL10673924 0.77 LMNA (0.39) LMNAMMP1MMP2MMP3MMP8
SCHEMBL1009541 0.75 LMNA (0.37) LMNAMMP1MMP2MMP3MMP8
SCHEMBL16697397 0.74 GPR84 (0.42) CA1

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 6 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 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
US-4064269-A 4-[(4-Phenoxy and benzyl)-phenoxy]-butyric acid esters CIBA-GEIGY CORPORATION (US) 1977-12-20 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 (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 LMNA 4828/4885MMP1 1561/4885MMP2 1734/4885
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 LMNA 4803/4885MMP1 1712/4885MMP2 1552/4885

“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.