SCHEMBL914745

SCHEMBL914745

O=C(NC1CCN(CCN2CCCCCC2)CC1)c1cc2c(-c3ccc4c(c3)OCO4)cccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.47
SLC6A13 Q9NSD5 1/20 0.47
MCHR1 Q99705 7/20 0.45
HRH3 Q9Y5N1 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
WNT1 P04628 1/20 0.42
DYRK1A Q13627 1/20 0.42
DRD2 P14416 4/20 0.42
HTR2A P28223 3/20 0.42
DRD3 P35462 3/20 0.42
DRD4 P21917 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL29743948 1.00 SLC6A12 (0.47) SLC6A12SLC6A13MCHR1HRH3NPC1
SCHEMBL4403742 0.86 MCHR1 (0.46) SLC6A12SLC6A13MCHR1HRH3HPGD
SCHEMBL13593441 0.86 KDM4E (0.45) HRH3WNT1DYRK1AKDM4EHSD17B10
SCHEMBL914193 0.86 HTR7 (0.49) SMN1; SMN2WNT1DYRK1ADRD2DRD4
SCHEMBL914558 0.85 KDM4E (0.45) WNT1DYRK1ADRD4KDM4EHSD17B10
SCHEMBL13593468 0.84 WNT1 (0.44) WNT1DYRK1ADRD2DRD4KDM4E
SCHEMBL6964957 0.84 DYRK1A (0.43) WNT1DYRK1AKDM4EHSD17B10
SCHEMBL914346 0.83 KDM4E (0.45) WNT1DYRK1AKDM4EHSD17B10
SCHEMBL913724 0.83 TLR7 (0.50) MCHR1SMN1; SMN2DYRK1AACHETLR9
SCHEMBL914740 0.83 KDM4E (0.49) SMN1; SMN2DYRK1ADRD2DRD3DRD4

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 SLC6A12 1226/4885SLC6A13 1477/4885MCHR1 257/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 SLC6A12 1195/4885SLC6A13 1433/4885MCHR1 246/4885

“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.