SCHEMBL2171048

SCHEMBL2171048

Cc1cc(Cl)cc2c(Br)ccnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.39
CCR8 P51685 3/20 0.39
CCR5 P51681 2/20 0.39
KDM4E B2RXH2 3/20 0.35
HTT P42858 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TP53 P04637 2/20 0.35
HSP90AA1 P07900 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
USP2 O75604 1/20 0.35
MAP3K14 Q99558 1/20 0.35
PDE10A Q9Y233 4/20 0.34
PRKCI P41743 1/20 0.34
CYP3A4 P08684 4/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.33
HTR1A P08908 2/20 0.33
ADRA1D P25100 1/20 0.33

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
SCHEMBL11769852 0.81 NR4A2 (0.38) CCR1CCR8CCR5KDM4EHTT
SCHEMBL2171979 0.79 HTT (0.40) CCR1CCR8CCR5KDM4EHTT
SCHEMBL2171980 0.79 HTT (0.40) CCR1CCR8CCR5KDM4EHTT
SCHEMBL17502536 0.79 KDM4E (0.42) CCR1CCR8CCR5KDM4EHTT
SCHEMBL22492313 0.79 CCR1 (0.39) CCR1CCR8CCR5KDM4EHTT
SCHEMBL20292984 0.78 NSD2 (0.40) MEN1KMT2ACYP3A4MAPTHTR1A
SCHEMBL17502532 0.76 NSD2 (0.40) CCR1CCR8CCR5PDE10ACYP3A4
SCHEMBL22492525 0.75 CCR1 (0.36) CCR1CCR8CCR5KDM4EHTT
SCHEMBL25130613 0.74 GRM4 (0.34) CCR1CCR8CCR5KDM4EHTT
SCHEMBL441685 0.72 ACHE (0.35) KDM4EKMT2ATP53SMN1; SMN2MAP3K14

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
EP-2346830-B1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME (US) 2015-05-13 EP disclosed
US-8436015-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
US-8436015-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
US-8436015-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
EP-2346830-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck Sharp & Dohme Corp. (US) 2011-07-27 EP disclosed
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-07-14 US disclosed
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-07-14 US disclosed
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-07-14 US disclosed
WO-2010030722-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2010-03-18 WO disclosed
WO-2010030722-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2010-03-18 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-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE GCGR, GLP1R, GPR119 CCR1 1312/4885CCR8 1018/4885CCR5 791/4885

“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.