SCHEMBL913772

SCHEMBL913772

O=C(NC1CCN(CCN2CCCCCC2)CC1)c1cc2c(OCC3CCC3)cccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 1/20 0.43
HTR4 Q13639 1/20 0.41
GUCY1B2 O75343 2/20 0.41
GUCY1A2 P33402 2/20 0.41
GUCY1A1 Q02108 2/20 0.41
GUCY1B1 Q02153 2/20 0.41
HTR7 P34969 3/20 0.41
HTR1A P08908 2/20 0.41
PDGFRB P09619 1/20 0.40
FLT3 P36888 1/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
RHEB Q15382 1/20 0.40
PARP1 P09874 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL916105 0.97 KDM4E (0.45) KDM4EHSD17B10KMT2AHTR4GUCY1B2
SCHEMBL913607 0.94 KMT2A (0.42) KMT2AGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL913418 0.92 KMT2A (0.42) KMT2AGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL913758 0.92 KMT2A (0.41) KDM4EHSD17B10KMT2AGUCY1B2GUCY1A2
SCHEMBL915770 0.90 DRD2 (0.42) KMT2AHTR7HTR1ADRD2DRD3
SCHEMBL914328 0.88 KMT2A (0.42) KMT2AGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL6958776 0.88 KMT2A (0.40) KDM4EHSD17B10KMT2AHTR4GUCY1B2
SCHEMBL914543 0.88 KMT2A (0.40) KDM4EHSD17B10KMT2AHTR4GUCY1B2
SCHEMBL28762593 0.87 KMT2A (0.44) KDM4EKMT2AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL913352 0.87 KMT2A (0.56) KDM4EHSD17B10KMT2AHTR4FLT3

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 4266/4885HSD17B10 2416/4885KMT2A 4109/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KDM4E 4275/4885HSD17B10 2378/4885KMT2A 4125/4885

“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.