SCHEMBL4008971

SCHEMBL4008971

COc1ccc(NC(=O)C=Cc2ccc(Cl)c(Cl)c2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.68
TP53 P04637 2/20 0.65
MAPT P10636 2/20 0.65
HDAC3 O15379 4/20 0.58
HDAC4 P56524 4/20 0.58
HDAC1 Q13547 4/20 0.58
HDAC7 Q8WUI4 4/20 0.58
HDAC2 Q92769 4/20 0.58
HDAC10 Q969S8 4/20 0.58
HDAC11 Q96DB2 4/20 0.58
HDAC8 Q9BY41 4/20 0.58
HDAC6 Q9UBN7 4/20 0.58
HDAC9 Q9UKV0 4/20 0.58
HDAC5 Q9UQL6 4/20 0.58
BCHE P06276 9/20 0.53
ACHE P22303 8/20 0.53
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
HTR2C P28335 1/20 0.49
MCHR1 Q99705 1/20 0.49

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
SCHEMBL4008970 1.00 SLC2A1 (0.68) SLC2A1TP53MAPTHDAC3HDAC4
SCHEMBL7614281 0.93 SLC2A1 (0.66) SLC2A1TP53MAPTHDAC3HDAC4
SCHEMBL7615423 0.91 SLC2A1 (0.73) SLC2A1TP53MAPTHDAC3HDAC4
SCHEMBL7615429 0.91 SLC2A1 (0.73) SLC2A1TP53MAPTHDAC3HDAC4
SCHEMBL7612420 0.90 SLC2A1 (0.62) SLC2A1TP53MAPTHDAC3HDAC4
SCHEMBL7617267 0.90 SLC2A1 (0.62) SLC2A1TP53MAPTHDAC3HDAC4
SCHEMBL7617272 0.90 SLC2A1 (0.62) SLC2A1TP53MAPTHDAC3HDAC4
SCHEMBL7618033 0.89 SLC2A1 (0.73) SLC2A1TP53MAPTHDAC1BCHE
SCHEMBL7651286 0.89 SLC2A1 (0.73) SLC2A1TP53MAPTHDAC1BCHE
SCHEMBL7619501 0.88 SLC2A1 (0.67) SLC2A1TP53MAPTBCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100495-A4 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORP (US) 2002-09-25 EP claimed
JP-2002521441-A 2002-07-16 JP claimed
EP-1100495-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP claimed
WO-2000006153-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO claimed
EP-1558567-B1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2009-06-24 EP disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
EP-1558567-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 US disclosed
WO-2004039764-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 WO disclosed
EP-1100495-A4 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORP (US) 2002-09-25 EP disclosed
EP-1100495-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP disclosed
WO-2000006153-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 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-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R SLC2A1 858/4885TP53 4802/4885MAPT 4346/4885

“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.