SCHEMBL915415

SCHEMBL915415

O=C(NC1CCN(CCN2CCCCCC2)CC1)c1cc2c(Oc3ccc(F)c(F)c3)cccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.45
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PLD2 O14939 2/20 0.41
PLD1 Q13393 2/20 0.41
HTR7 P34969 4/20 0.41
KMT2A Q03164 1/20 0.41
PDGFRB P09619 1/20 0.40
FLT3 P36888 1/20 0.40
CCR3 P51677 1/20 0.40
DRD2 P14416 2/20 0.40
HTR1A P08908 2/20 0.40
HTR6 P50406 1/20 0.40
RHEB Q15382 1/20 0.39
DRD3 P35462 1/20 0.39
MLLT1 Q03111 1/20 0.39
CCR8 P51685 1/20 0.39
HTR4 Q13639 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
SCHEMBL914689 0.92 HTR7 (0.44) KDM4EHSD17B10HTR7KMT2APDGFRB
SCHEMBL915333 0.91 HTR7 (0.49) MCHR1KDM4EHSD17B10PLD2PLD1
SCHEMBL6979475 0.90 MLLT1 (0.45) MCHR1KDM4EHSD17B10PLD2PLD1
SCHEMBL914636 0.90 MLLT1 (0.45) MCHR1KDM4EHSD17B10PLD2PLD1
SCHEMBL914132 0.89 KDM4E (0.47) KDM4EHSD17B10HTR7KMT2ACCR3
SCHEMBL914958 0.88 PDGFRB (0.45) MCHR1KDM4EHSD17B10HTR7KMT2A
SCHEMBL913676 0.87 CCR8 (0.45) MCHR1KDM4EHSD17B10HTR7KMT2A
SCHEMBL4396955 0.87 MCHR1 (0.39) MCHR1PLD2PLD1HTR7DRD2
SCHEMBL913695 0.85 HTR7 (0.44) MCHR1HTR7KMT2ACCR3DRD2
SCHEMBL913352 0.84 KMT2A (0.56) KDM4EHSD17B10KMT2AFLT3DRD2

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 MCHR1 257/4885KDM4E 4266/4885HSD17B10 2416/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 MCHR1 246/4885KDM4E 4275/4885HSD17B10 2378/4885

“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.