SCHEMBL6979880

SCHEMBL6979880

CCC(CCO)N(CC)CCN1CCC(NC(=O)c2cc3c(-c4ccc(OC)nc4)cccc3[nH]2)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.39
HTR7 P34969 2/20 0.39
TLR9 Q9NR96 1/20 0.38
DYRK1A Q13627 5/20 0.38
GSK3B P49841 1/20 0.38
EGLN1 Q9GZT9 2/20 0.37
HTR1A P08908 1/20 0.37
WNT1 P04628 3/20 0.35
PARP1 P09874 2/20 0.35
CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL915139 0.87 HTR7 (0.46) SLC2A1HTR7TLR9DYRK1AGSK3B
SCHEMBL914725 0.83 TLR9 (0.44) SLC2A1HTR7TLR9DYRK1AGSK3B
SCHEMBL914569 0.83 TLR9 (0.44) SLC2A1HTR7TLR9DYRK1AGSK3B
SCHEMBL914581 0.81 GSK3B (0.42) SLC2A1HTR7TLR9DYRK1AGSK3B
SCHEMBL916126 0.79 GSK3B (0.42) SLC2A1HTR7TLR9DYRK1AGSK3B
SCHEMBL915080 0.77 BRD4 (0.49) DYRK1AWNT1PARP1
SCHEMBL914089 0.76 SLC2A1 (0.43) SLC2A1TLR9DYRK1AGSK3BWNT1
SCHEMBL2762287 0.75 GPR119 (0.51) PARP1
SCHEMBL914740 0.74 KDM4E (0.49) HTR7DYRK1AHTR1A
SCHEMBL914166 0.74 DRD4 (0.44) SLC2A1HTR7DYRK1AHTR1AWNT1

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 3 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-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

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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 SLC2A1 820/4885HTR7 1237/4885TLR9 179/4885

“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.