SCHEMBL915089

SCHEMBL915089

CCOc1ccc(-c2cccc3[nH]c(C(=O)NN4CCCCC4)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
PDGFRB P09619 1/20 0.41
FLT3 P36888 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 2/20 0.39
CNR1 P21554 1/20 0.38

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
SCHEMBL915391 0.89 CNR1 (0.47) NPC1RAB9AKDM4EMAPTCNR1
SCHEMBL913726 0.82 ALDH1A1 (0.45) POLBDUSP3PTPN5PTPN11CTDSP1
SCHEMBL916260 0.82 ALDH1A1 (0.45) POLBDUSP3PTPN5PTPN11CTDSP1
SCHEMBL915081 0.82 CNR1 (0.42) KMT2AMEN1HPGDCNR1
SCHEMBL914175 0.80 ALPL (0.50) POLBDUSP3PTPN5PTPN11CTDSP1
SCHEMBL915087 0.78 RAB9A (0.45) POLBDUSP3PTPN5PTPN11CTDSP1
SCHEMBL914477 0.77 HTR7 (0.42) POLBDUSP3PTPN5PTPN11CTDSP1
SCHEMBL914587 0.75 ALDH1A1 (0.40) POLBDUSP3PTPN5PTPN11CTDSP1
SCHEMBL914073 0.75 KDM4E (0.46) POLBNPC1RAB9AKMT2AMEN1
SCHEMBL914819 0.75 KMT2A (0.43) POLBDUSP3PTPN5PTPN11CTDSP1

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 7 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
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
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 WO 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 POLB 2951/4885DUSP3 1932/4885PTPN5 715/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 POLB 2924/4885DUSP3 1962/4885PTPN5 733/4885

“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.