SCHEMBL2897284

SCHEMBL2897284

Clc1cccc(-n2nnc(CN3CCCCn4c(-c5cccnc5)nnc43)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA5 P30532 2/20 0.38
CHRNA4 P43681 2/20 0.38
GRM5 P41594 2/20 0.37
TSHR P16473 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
GSK3B P49841 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL4233819 0.98 P2RX7 (0.40) P2RX7NPC1RAB9AMAPTRXFP1
SCHEMBL2892995 0.90 FLT3 (0.39) NPC1GRM5GSK3BALDH1A1HPGD
SCHEMBL4227155 0.88 ALDH1A1 (0.38) NPC1RAB9AMAPTRXFP1CHRNB2
SCHEMBL2893412 0.85 ALDH1A1 (0.36) GRM5ALDH1A1HPGD
SCHEMBL4231995 0.81 GRM5 (0.38) GRM5ALDH1A1HPGD
SCHEMBL2889558 0.80 PSEN1 (0.38) GRM5TSHRALDH1A1
SCHEMBL2893245 0.79 ALDH1A1 (0.36) GRM5ALDH1A1HPGD
SCHEMBL2892997 0.79 GRM5 (0.34) GRM5GSK3BALDH1A1
SCHEMBL5482293 0.77 P2RX7 (0.40) P2RX7NPC1RAB9AMAPTCHRNB2
SCHEMBL2898277 0.77 GRM5 (0.41) P2RX7NPC1RAB9AMAPTRXFP1

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-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US claimed
EP-1716125-B1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2013-06-19 EP disclosed
US-7691892-B2 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2010-04-06 US disclosed
EP-2027129-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS AstraZeneca AB (SE) 2009-02-25 EP disclosed
WO-2007130824-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-23 US disclosed
EP-1716125-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS AstraZeneca AB (SE) 2006-11-02 EP disclosed
US-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-05 US disclosed
WO-2005080356-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2005-09-01 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 (3 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-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 P2RX7 70/4885NPC1 2544/4885RAB9A 2917/4885
US-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 P2RX7 351/4885NPC1 934/4885RAB9A 854/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 P2RX7 72/4885NPC1 2696/4885RAB9A 2910/4885

“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.