SCHEMBL6315846

SCHEMBL6315846

Cc1[nH]c2ccc(CCN3CCC(O)CC3)cc2c1C(=O)OC(C)c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.37
HIF1A Q16665 1/20 0.37
TERT O14746 3/20 0.36
SPHK1 Q9NYA1 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
PKM P14618 1/20 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
HRH3 Q9Y5N1 1/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 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
SCHEMBL6316289 0.92 KCNH2 (0.39) SMN1; SMN2LMNATERTSPHK1GAA
SCHEMBL6322877 0.92 ALDH1A1 (0.40) SMN1; SMN2LMNAALDH1A1PDGFRBFGFR1
SCHEMBL6315276 0.91 LMNA (0.42) SMN1; SMN2LMNAALDH1A1MAPTGAA
SCHEMBL6314419 0.91 LMNA (0.38) SMN1; SMN2LMNATERTSPHK1GAA
SCHEMBL6316994 0.90 LMNA (0.43) SMN1; SMN2LMNAALDH1A1MAPTTERT
SCHEMBL6316813 0.88 SMN1; SMN2 (0.39) SMN1; SMN2LMNAMAPTTERTSPHK1
SCHEMBL6314657 0.86 CCR5 (0.38) SMN1; SMN2LMNA
SCHEMBL6316995 0.86 ALDH1A1 (0.41) LMNAALDH1A1MAPTGAA
SCHEMBL6324178 0.84 AVPR1B (0.39) SMN1; SMN2LMNATERTSPHK1GAA
SCHEMBL6316577 0.84 SMN1; SMN2 (0.39) SMN1; SMN2LMNAALDH1A1MAPTTERT

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 4828/4885ALDH1A1 672/4885
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 SMN1; SMN2 4694/4885LMNA 4803/4885ALDH1A1 956/4885

“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.