SCHEMBL2796247

SCHEMBL2796247

COc1cc(OCCCN2CCC(Oc3ccc(C#N)cc3)CC2)c(NC(C)=O)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.49
CCR3 P51677 2/20 0.49
HRH3 Q9Y5N1 7/20 0.48
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
MEN1 O00255 2/20 0.44
SRC P12931 1/20 0.44
HRH2 P25021 3/20 0.44
EPHX2 P34913 1/20 0.44
PDGFRB P09619 1/20 0.43
KIT P10721 1/20 0.43
FLT3 P36888 1/20 0.43
CHEK1 O14757 1/20 0.43
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 1/20 0.42
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42

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
SCHEMBL2796958 0.91 KMT2A (0.45) HRH3FLT1FLT4KDRKMT2A
SCHEMBL2798015 0.89 KDM4E (0.47) HRH1FLT1FLT4KDRKCNH2
SCHEMBL2798257 0.79 KMT2A (0.41) HRH3MEN1KMT2A
SCHEMBL2795092 0.77 CCR1 (0.53) HRH1CCR3MEN1KMT2AKCNH2
SCHEMBL2793364 0.76 KMT2A (0.44) HRH3KMT2A
SCHEMBL2795117 0.76 KMT2A (0.46) HRH3MEN1KMT2AKCNH2
SCHEMBL13229889 0.75 KMT2A (0.43) FLT1FLT4KDRMEN1KMT2A
SCHEMBL2796818 0.75 KDM4E (0.48) MEN1EPHX2KMT2A
SCHEMBL2799432 0.73 SIGMAR1 (0.49) HRH1CCR3HRH3MEN1KMT2A
SCHEMBL2797067 0.71 SIGMAR1 (0.45) HRH1CCR3HRH3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 WO claimed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US claimed
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 WO disclosed
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 WO disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 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 (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-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR5, CCR3 HRH1 160/4885CCR3 3/4885HRH3 177/4885

“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.