SCHEMBL915248

SCHEMBL915248

Cc1ccc(Oc2cccc3[nH]c(C(=O)NC4CCN(CCN5CCCC(O)C5)CC4)cc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
DRD2 P14416 2/20 0.39
DRD3 P35462 1/20 0.39
DRD4 P21917 2/20 0.39
PDGFRB P09619 1/20 0.38
FLT3 P36888 1/20 0.38
MCHR1 Q99705 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SLC18A2 Q05940 1/20 0.38
CCR8 P51685 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HTR7 P34969 2/20 0.36
HTR1A P08908 1/20 0.36
HTR6 P50406 1/20 0.36
PARP1 P09874 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 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 0.93 CCR8 (0.42) KMT2ADRD2DRD3DRD4PDGFRB
SCHEMBL6963601 0.93 CCR8 (0.42) KMT2ADRD2DRD3DRD4PDGFRB
SCHEMBL914932 0.92 DRD2 (0.42) KMT2ADRD2DRD3DRD4GAA
SCHEMBL914958 0.92 PDGFRB (0.45) KMT2ADRD2DRD3DRD4PDGFRB
SCHEMBL914017 0.89 HTR7 (0.41) KMT2ADRD2MCHR1HTR7HTR1A
SCHEMBL4411263 0.88 SLC6A3 (0.37) KMT2ADRD2DRD3SLC6A3SLC18A2
SCHEMBL914634 0.85 KMT2A (0.42) KMT2ADRD2DRD3LMNAKDM4E
SCHEMBL913786 0.85 KMT2A (0.42) KMT2ADRD2DRD3LMNAKDM4E
SCHEMBL913676 0.84 CCR8 (0.45) KMT2ADRD2DRD3DRD4PDGFRB
SCHEMBL914690 0.84 DRD4 (0.42) KMT2ADRD2DRD3DRD4CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US claimed
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-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 KMT2A 4109/4885DRD2 928/4885DRD3 1389/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KMT2A 4125/4885DRD2 914/4885DRD3 1369/4885

“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.