SCHEMBL914740

SCHEMBL914740

COc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCCCCC5)CC4)cc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
DRD4 P21917 2/20 0.44
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
HTR4 Q13639 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR3A P46098 2/20 0.43
PDGFRB P09619 1/20 0.43
FLT3 P36888 1/20 0.43
DYRK1A Q13627 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.42
ACHE P22303 1/20 0.42
MAPT P10636 1/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL914166 0.93 DRD4 (0.44) KDM4EKMT2AALDH1A1DRD4DRD2
SCHEMBL913726 0.91 ALDH1A1 (0.45) KDM4EKMT2AALDH1A1DRD2SMN1; SMN2
SCHEMBL916260 0.91 ALDH1A1 (0.45) KDM4EKMT2AALDH1A1DRD2SMN1; SMN2
SCHEMBL914558 0.90 KDM4E (0.45) KDM4EKMT2ADRD4HTR4PDGFRB
SCHEMBL913724 0.90 TLR7 (0.50) KMT2AHTR4SMN1; SMN2DYRK1AACHE
SCHEMBL13593441 0.89 KDM4E (0.45) KDM4EDYRK1AHSD17B10MAPTHTR1A
SCHEMBL914193 0.89 HTR7 (0.49) KDM4EKMT2AALDH1A1DRD4DRD2
SCHEMBL916006 0.89 KDM4E (0.49) KDM4EKMT2AALDH1A1TSHRDRD4
SCHEMBL913892 0.89 DRD4 (0.43) KDM4EDRD4DRD2DRD3PDGFRB
SCHEMBL914725 0.88 TLR9 (0.44) KDM4EKMT2AHTR4DYRK1AHSD17B10

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 KDM4E 4266/4885KMT2A 4109/4885ALDH1A1 1647/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KDM4E 4275/4885KMT2A 4125/4885ALDH1A1 1732/4885

“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.