SCHEMBL2796958

SCHEMBL2796958

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
HRH3 Q9Y5N1 4/20 0.44
SIGMAR1 Q99720 2/20 0.43
DRD2 P14416 2/20 0.42
MCHR1 Q99705 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 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
SCHEMBL2798015 0.93 KDM4E (0.47) SIGMAR1DRD2FLT1FLT4KDR
SCHEMBL2796247 0.91 HRH1 (0.49) KMT2AHRH3FLT1FLT4KDR
SCHEMBL2798257 0.88 KMT2A (0.41) KMT2AHRH3SIGMAR1DRD2MCHR1
SCHEMBL2795092 0.85 CCR1 (0.53) KMT2ADRD2USP2HTT
SCHEMBL2793364 0.85 KMT2A (0.44) KMT2AHRH3DRD2USP2ALDH1A1
SCHEMBL2795117 0.84 KMT2A (0.46) KMT2AHRH3DRD2USP2ALDH1A1
SCHEMBL13229889 0.83 KMT2A (0.43) KMT2ADRD2FLT1FLT4KDR
SCHEMBL2799432 0.82 SIGMAR1 (0.49) KMT2AHRH3SIGMAR1DRD2ALDH1A1
SCHEMBL2797067 0.80 SIGMAR1 (0.45) KMT2AHRH3SIGMAR1ALDH1A1
SCHEMBL2799275 0.79 BRD4 (0.42) MCHR1USP2ALDH1A1HTT

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 KMT2A 4409/4885HRH3 177/4885SIGMAR1 292/4885

“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.