SCHEMBL916158

SCHEMBL916158

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 1/20 0.49
HRH4 Q9H3N8 1/20 0.48
RHEB Q15382 2/20 0.43
KMT2A Q03164 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PARP1 P09874 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
SCHEMBL914907 1.00 KDM4E (0.49) KDM4EHSD17B10HRH4RHEBKMT2A
SCHEMBL914665 0.92 HRH4 (0.48) HRH4RHEBKMT2AADRA2AADRA2B
SCHEMBL914610 0.88 KDM4E (0.50) KDM4EHSD17B10HRH4RHEBADRA2A
SCHEMBL29743999 0.88 KDM4E (0.50) KDM4EHSD17B10HRH4RHEBADRA2A
SCHEMBL6966095 0.86 HRH4 (0.43) KDM4EHSD17B10HRH4RHEBKMT2A
SCHEMBL914210 0.86 HRH4 (0.43) KDM4EHSD17B10HRH4RHEBKMT2A
SCHEMBL913352 0.85 KMT2A (0.56) KDM4EHSD17B10HRH4KMT2AMAPT
SCHEMBL914193 0.85 HTR7 (0.49) KDM4EHSD17B10RHEBKMT2AADRA2A
SCHEMBL13593441 0.83 KDM4E (0.45) KDM4EHSD17B10RHEBADRA2AADRA2B
SCHEMBL27673302 0.83 HRH4 (0.52) HRH4RHEB

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 10 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-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 2416/4885HRH4 478/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KDM4E 4275/4885HSD17B10 2378/4885HRH4 467/4885

“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.