SCHEMBL6316577

SCHEMBL6316577

Cc1ccc(C)c(C(C)OC(=O)c2c(C)[nH]c3ccc(CCN4CCC(O)CC4)cc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.38
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TERT O14746 3/20 0.35
PDGFRB P09619 2/20 0.35
FGFR1 P11362 2/20 0.35
PDGFRA P16234 2/20 0.35
FLT1 P17948 2/20 0.35
FGFR3 P22607 2/20 0.35
KDR P35968 2/20 0.35
SPHK1 Q9NYA1 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
OPRM1 P35372 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
SCHEMBL6315840 0.93 SMN1; SMN2 (0.39) SMN1; SMN2LMNATSHRALOX15KMT2A
SCHEMBL6317184 0.91 ALOX15 (0.45) SMN1; SMN2LMNATSHRALOX15KMT2A
SCHEMBL6321259 0.91 ALOX15 (0.45) SMN1; SMN2LMNAALOX15KMT2AALDH1A1
SCHEMBL6316813 0.86 SMN1; SMN2 (0.39) SMN1; SMN2LMNAALOX15TERTPDGFRB
SCHEMBL6323464 0.86 ENPP2 (0.39) SMN1; SMN2LMNAALOX15TERTPDGFRB
SCHEMBL6322877 0.85 ALDH1A1 (0.40) SMN1; SMN2LMNAALOX15KMT2AALDH1A1
SCHEMBL6323321 0.85 AVPR1B (0.38) SMN1; SMN2LMNATSHRALDH1A1TERT
SCHEMBL6315846 0.84 SMN1; SMN2 (0.40) SMN1; SMN2LMNAALDH1A1TERTPDGFRB
SCHEMBL6316870 0.84 ALOX15 (0.45) SMN1; SMN2LMNATSHRALOX15KMT2A
SCHEMBL6316289 0.84 KCNH2 (0.39) SMN1; SMN2LMNAKMT2ATERTSPHK1

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 SMN1; SMN2 4576/4885LMNA 4828/4885TSHR 1622/4885
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 SMN1; SMN2 4694/4885LMNA 4803/4885TSHR 1603/4885

“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.