SCHEMBL1647482

SCHEMBL1647482

N#Cc1ccc(COC(=O)c2cc(Br)ccc2OCc2ccc(C#N)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.60
LRRK2 Q5S007 5/20 0.59
TDP1 Q9NUW8 1/20 0.48
SMPD1 P17405 1/20 0.44
XDH P47989 1/20 0.44
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 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
SCHEMBL1647361 0.88 CCR5 (0.64) CCR5LRRK2SMPD1XDH
SCHEMBL1647817 0.87 SLC6A4 (0.54) CCR5LRRK2
SCHEMBL1646798 0.83 CCR5 (0.58) CCR5LRRK2
SCHEMBL1648521 0.83 LRRK2 (0.56) CCR5LRRK2RAB9AMAOB
SCHEMBL552025 0.83 LRRK2 (0.57) LRRK2TDP1
SCHEMBL551104 0.82 MRGPRX4 (0.52) TDP1XDHMAOB
SCHEMBL1647292 0.81 LRRK2 (0.58) CCR5LRRK2SMPD1MAOAMAOB
SCHEMBL1646590 0.79 LRRK2 (0.58) CCR5LRRK2MAOAMAOB
SCHEMBL1647309 0.76 ALDH1A1 (0.55) LRRK2TDP1TSHRRAB9A
SCHEMBL1646587 0.75 LRRK2 (0.60) LRRK2RAB9AMAOB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483254-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2014-08-13 EP disclosed
US-8778939-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-07-15 US disclosed
EP-2483254-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-08-08 EP disclosed
US-20120184553-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-19 US disclosed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 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 (1 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-20120184553-A1 NOVEL COMPOUNDS LRRK2, PARK7, PINK1 CCR5 4017/4885LRRK2 1/4885TDP1 705/4885

“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.