SCHEMBL2798015

SCHEMBL2798015

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
CCR1 P32246 2/20 0.46
KCNH2 Q12809 5/20 0.45
DRD2 P14416 5/20 0.45
HTR2A P28223 4/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 3/20 0.45
HTR1A P08908 3/20 0.45
CYP2C9 P11712 2/20 0.45
HTR4 Q13639 2/20 0.45
ADRA2A P08913 2/20 0.45
ADRA1D P25100 2/20 0.45
HTR2C P28335 2/20 0.45
ADRA1A P35348 2/20 0.45
HRH1 P35367 2/20 0.45
ADRA1B P35368 2/20 0.45
USP2 O75604 1/20 0.45
HTR3E A5X5Y0 1/20 0.45
MLNR O43193 1/20 0.45
CACNA1F O60840 1/20 0.45

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 0.93 KMT2A (0.45) DRD2USP2SIGMAR1FLT1FLT4
SCHEMBL2796247 0.89 HRH1 (0.49) KCNH2HRH1FLT1FLT4KDR
SCHEMBL2796818 0.85 KDM4E (0.48) KDM4ECCR1MLNRMAPT
SCHEMBL2798257 0.81 KMT2A (0.41) KDM4ECCR1DRD2USP2SIGMAR1
SCHEMBL2795092 0.79 CCR1 (0.53) CCR1KCNH2DRD2CYP2D6HRH1
SCHEMBL2793364 0.78 KMT2A (0.44) KDM4EDRD2USP2
SCHEMBL2795117 0.78 KMT2A (0.46) KCNH2DRD2HTR2AHTR2CUSP2
SCHEMBL2794957 0.77 CCR1 (0.45) KDM4ECCR1KCNH2DRD2HTR2A
SCHEMBL13229889 0.77 KMT2A (0.43) KDM4ECCR1DRD2USP2MAPT
SCHEMBL2793273 0.76 CCR1 (0.44) KDM4ECCR1MAPTFLT1FLT4

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 KDM4E 3087/4885CCR1 1/4885KCNH2 4299/4885

“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.