SCHEMBL6200318

SCHEMBL6200318

COc1ccc(N)cc1OCCCN(C(C)C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP19A1 P11511 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
PRSS1 P07477 4/20 0.39
NR4A1 P22736 1/20 0.39
MCHR1 Q99705 4/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL6204180 0.93 GAA (0.47) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL4198415 0.87 GAA (0.55) GAAMAPTKDM4EALDH1A1MCHR1
SCHEMBL188792 0.83 GAA (0.50) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL6925643 0.82 GAA (0.46) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL22502146 0.80 GAA (0.54) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL6921862 0.80 GAA (0.48) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL6604502 0.79 ADRA1A (0.43) GAAMAPTKDM4EHTTTSHR
SCHEMBL6603753 0.79 SIGMAR1 (0.52) GAAMAPTKDM4ESIGMAR1
SCHEMBL6927309 0.79 GAA (0.43) GAAMAPTKDM4EALDH1A1HTT
Hydrochloric Acid SCHEMBL22502140 0.79 GAA (0.57) GAAMAPTKDM4EALDH1A1HTT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343796-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-01-12 EP disclosed
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
US-20040038982-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-02-26 US disclosed
EP-1343796-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2003-09-17 EP disclosed
EP-1001766-B1 COMPOUNDS FOR THE TREATMENT OF CCR5-MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
US-6515027-B1 Ligands, agonists or antagonists, of the CC chemokine receptor CC-CKR5 SMITHKLINE BEECHAM CORP. 2003-02-04 US disclosed
EP-1100495-A4 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORP (US) 2002-09-25 EP disclosed
US-6399656-B1 USING A BENZOPYRAN-3-CARBOXAMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-06-04 US disclosed
WO-2002034760-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-05-02 WO disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
EP-1100495-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP disclosed
EP-1001766-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2001-04-04 EP disclosed
EP-1001766-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP disclosed
WO-2000006153-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed
WO-1999001127-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 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 (1 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-20040038982-A1 Compounds and methods CCR5, CXCR3, CCR2 GAA 3695/4885MAPT 1705/4885KDM4E 4452/4885

“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.