SCHEMBL915391

SCHEMBL915391

COc1ccc(-c2cccc3[nH]c(C(=O)NN4CCCCC4)cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
CCNE2 O96020 2/20 0.44
CDK4 P11802 2/20 0.44
CCND1 P24385 2/20 0.44
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
FBP1 P09467 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALB P02768 1/20 0.42
IL2 P60568 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
MAPT P10636 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
SCHEMBL915089 0.89 POLB (0.46) CNR1KDM4ENPC1RAB9AMAPT
SCHEMBL915081 0.86 CNR1 (0.42) CNR1
SCHEMBL914740 0.80 KDM4E (0.49) KDM4EDRD2DRD3MAPT
SCHEMBL913901 0.78 FLT3 (0.50) KDM4EALBIL2
SCHEMBL914819 0.77 KMT2A (0.43) KDM4ENPC1RAB9ADRD2DRD3
SCHEMBL915389 0.76 HTR4 (0.51) CNR1FBP1KDM4EALBIL2
SCHEMBL914166 0.75 DRD4 (0.44) KDM4EDRD2DRD3MAPT
SCHEMBL915626 0.74 SMN1; SMN2 (0.59)
SCHEMBL914266 0.73 DRD4 (0.40) KDM4E
SCHEMBL914073 0.73 KDM4E (0.46) KDM4ENPC1RAB9ADRD2DRD3

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 CNR1 134/4885CCNE2 2544/4885CDK4 3658/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 CNR1 134/4885CCNE2 2552/4885CDK4 3678/4885

“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.