SCHEMBL915389

SCHEMBL915389

COc1ccc(-c2cccc3[nH]c(C(=O)NC4CCNCC4)cc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.51
SMYD3 Q9H7B4 1/20 0.47
HPGDS O60760 1/20 0.45
WNT1 P04628 1/20 0.44
DYRK1A Q13627 1/20 0.44
MAPK14 Q16539 2/20 0.44
ALB P02768 1/20 0.43
IL2 P60568 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KLK7 P49862 1/20 0.42
EP300 Q09472 1/20 0.42
NUDT1 P36639 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
FBP1 P09467 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
KDM1A O60341 1/20 0.40

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
SCHEMBL915087 0.89 RAB9A (0.45) HTR4SMYD3WNT1DYRK1ARAB9A
SCHEMBL915080 0.86 BRD4 (0.49) HTR4SMYD3HPGDSWNT1DYRK1A
SCHEMBL914166 0.83 DRD4 (0.44) WNT1DYRK1AKDM4EMAPT
SCHEMBL914740 0.83 KDM4E (0.49) HTR4DYRK1AKDM4EMAPT
SCHEMBL915626 0.82 SMN1; SMN2 (0.59)
SCHEMBL914281 0.79 DRD4 (0.41) DYRK1AKDM4EMAPT
SCHEMBL6966091 0.79 DRD4 (0.41) DYRK1AKDM4EMAPT
SCHEMBL916108 0.79 TLR9 (0.44) WNT1DYRK1A
SCHEMBL914266 0.78 DRD4 (0.40) DYRK1AKDM4E
SCHEMBL914817 0.78 SMYD3 (0.49) HTR4SMYD3NPC1RAB9AKDM4E

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 HTR4 1579/4885SMYD3 3615/4885HPGDS 318/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 HTR4 1579/4885SMYD3 3572/4885HPGDS 339/4885

“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.