SCHEMBL916006

SCHEMBL916006

COc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCCCCC5)CC4)cc23)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 4/20 0.46
HTR4 Q13639 3/20 0.46
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
TLR9 Q9NR96 1/20 0.44
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACHE P22303 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAPT P10636 1/20 0.42
DRD4 P21917 1/20 0.42
MCHR1 Q99705 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
SCHEMBL914740 0.89 KDM4E (0.49) KDM4EKMT2AHTR4ALDH1A1TSHR
SCHEMBL4406646 0.87 TSHR (0.42) KDM4EKMT2AHTR4ALDH1A1TSHR
SCHEMBL913352 0.87 KMT2A (0.56) KDM4EKMT2AHTR4ALDH1A1DRD2
SCHEMBL913724 0.86 TLR7 (0.50) KMT2AHTR4TLR9SMN1; SMN2ACHE
SCHEMBL916260 0.82 ALDH1A1 (0.45) KDM4EKMT2AALDH1A1DRD2USP2
SCHEMBL913726 0.82 ALDH1A1 (0.45) KDM4EKMT2AALDH1A1DRD2USP2
SCHEMBL914166 0.82 DRD4 (0.44) KDM4EKMT2AALDH1A1DRD2DRD3
SCHEMBL914193 0.81 HTR7 (0.49) KDM4EKMT2AALDH1A1DRD2MEN1
SCHEMBL914725 0.81 TLR9 (0.44) KDM4EKMT2AHTR4TLR9SIGMAR1
SCHEMBL914558 0.81 KDM4E (0.45) KDM4EKMT2AHTR4MEN1DRD4

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 11 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
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP 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 KDM4E 4266/4885KMT2A 4109/4885HTR4 1579/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KDM4E 4275/4885KMT2A 4125/4885HTR4 1579/4885

“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.