SCHEMBL2793273

SCHEMBL2793273

COc1cc(OCCCN2CCC(O)(Cc3ccc(F)cc3)C(C)(C)C2)c(NC(C)=O)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.44
KDM4E B2RXH2 1/20 0.41
MAPT P10636 3/20 0.41
KDR P35968 2/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
CHEK1 O14757 1/20 0.39
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
EGFR P00533 1/20 0.37
POLB P06746 1/20 0.36
BRD4 O60885 1/20 0.36
MEN1 O00255 1/20 0.36
MET P08581 1/20 0.36

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
SCHEMBL2798374 0.94 MAPT (0.39) CCR1KDM4EMAPTKDRLMNA
SCHEMBL2794798 0.93 KDM4E (0.41) CCR1KDM4EMAPTKDRFLT1
SCHEMBL2797948 0.92 CCR1 (0.37) CCR1KDM4EMAPTKDRFLT1
SCHEMBL2794957 0.90 CCR1 (0.45) CCR1KDM4EMAPTKDRFLT1
SCHEMBL2796675 0.87 HTR4 (0.40) MAPTKDRFLT1FLT4KMT2A
SCHEMBL3477402 0.86 KDM4E (0.36) CCR1KDM4EMAPTKDRFLT1
SCHEMBL2794565 0.86 BRD4 (0.39) MAPTKDRLMNAKMT2AEGFR
SCHEMBL2797030 0.86 KDM4E (0.40) KDM4EMAPTKDRFLT1FLT4
SCHEMBL2793994 0.86 HTR1A (0.43) MAPTKDRFLT1FLT4
SCHEMBL2799025 0.85 P2RX3 (0.37) CCR1KDM4EMAPTLMNAKMT2A

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 CCR1 1/4885KDM4E 3087/4885MAPT 4424/4885

“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.