SCHEMBL6963601

SCHEMBL6963601

Cc1cccc(Oc2cccc3[nH]c(C(=O)NC4CCN(CCN5CCCC(O)C5)CC4)cc23)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.42
KMT2A Q03164 1/20 0.41
DRD4 P21917 2/20 0.39
MCHR1 Q99705 1/20 0.39
DRD2 P14416 2/20 0.37
HTR7 P34969 2/20 0.37
HTR1A P08908 1/20 0.37
HTR6 P50406 1/20 0.37
DRD3 P35462 1/20 0.37
MCL1 Q07820 1/20 0.37
LMNA P02545 2/20 0.36
GLA P06280 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
PDGFRB P09619 1/20 0.36
FLT3 P36888 1/20 0.36
CCR3 P51677 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
SCHEMBL914582 1.00 CCR8 (0.42) CCR8KMT2ADRD4MCHR1DRD2
SCHEMBL915248 0.93 KMT2A (0.42) CCR8KMT2ADRD4MCHR1DRD2
SCHEMBL913676 0.92 CCR8 (0.45) CCR8KMT2ADRD4MCHR1DRD2
SCHEMBL914690 0.92 DRD4 (0.42) CCR8KMT2ADRD4DRD2HTR7
SCHEMBL914017 0.88 HTR7 (0.41) KMT2AMCHR1DRD2HTR7HTR1A
SCHEMBL4411141 0.88 CCR8 (0.41) CCR8KMT2AHTR7HTR1A
SCHEMBL914932 0.84 DRD2 (0.42) KMT2ADRD4DRD2HTR7HTR1A
SCHEMBL914958 0.84 PDGFRB (0.45) CCR8KMT2ADRD4MCHR1DRD2
SCHEMBL913786 0.84 KMT2A (0.42) KMT2ADRD2HTR7HTR1ADRD3
SCHEMBL914634 0.84 KMT2A (0.42) KMT2ADRD2HTR7HTR1ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 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 (2 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 CCR8 18/4885KMT2A 4109/4885DRD4 1829/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 CCR8 18/4885KMT2A 4125/4885DRD4 1813/4885

“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.