SCHEMBL914958

SCHEMBL914958

Cc1ccc(Oc2cccc3[nH]c(C(=O)NC4CCN(CCN5CCCCCC5)CC4)cc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.45
FLT3 P36888 1/20 0.45
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MCHR1 Q99705 1/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 1/20 0.42
HTR4 Q13639 1/20 0.42
DRD4 P21917 2/20 0.42
CCR8 P51685 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
SLC2A1 P11166 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL914932 0.93 DRD2 (0.42) KMT2ADRD2DRD3DRD4GAA
SCHEMBL913676 0.92 CCR8 (0.45) PDGFRBFLT3KMT2AKDM4EHSD17B10
SCHEMBL914689 0.92 HTR7 (0.44) PDGFRBFLT3KMT2AKDM4EHSD17B10
SCHEMBL914132 0.92 KDM4E (0.47) KMT2AKDM4EHSD17B10DRD4CCR8
SCHEMBL915248 0.92 KMT2A (0.42) PDGFRBFLT3KMT2AKDM4EMCHR1
SCHEMBL915415 0.88 MCHR1 (0.45) PDGFRBFLT3KMT2AKDM4EHSD17B10
SCHEMBL914636 0.88 MLLT1 (0.45) FLT3KMT2AKDM4EHSD17B10MCHR1
SCHEMBL6979475 0.88 MLLT1 (0.45) FLT3KMT2AKDM4EHSD17B10MCHR1
SCHEMBL913352 0.87 KMT2A (0.56) FLT3KMT2AKDM4EHSD17B10DRD2
SCHEMBL915333 0.87 HTR7 (0.49) KMT2AKDM4EHSD17B10MCHR1DRD2

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 PDGFRB 271/4885FLT3 225/4885KMT2A 4109/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 PDGFRB 287/4885FLT3 240/4885KMT2A 4125/4885

“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.