SCHEMBL3862923

SCHEMBL3862923

O=C(Nc1ccccn1)c1cccc(-c2ccccc2)n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.79
CHRNB2 P17787 1/20 0.59
CHRNB4 P30926 1/20 0.59
CHRNA3 P32297 1/20 0.59
CHRNA4 P43681 1/20 0.59
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
GRM5 P41594 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52

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
SCHEMBL27655351 0.90 CNR2 (0.64) CNR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14152323 0.88 CNR2 (1.00) CNR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3866119 0.87 CNR2 (0.84) CNR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3218465 0.83 CNR2 (0.57) CNR2NPC1RAB9AMEN1KMT2A
SCHEMBL9384187 0.81 NPC1 (0.72) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL16996703 0.81 NPC1 (0.62) CNR2NPC1RAB9AMEN1KMT2A
SCHEMBL5785702 0.80 CNR2 (0.78) CNR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3859996 0.80 CNR2 (0.60) CNR2NPC1RAB9AMEN1KMT2A
SCHEMBL22728512 0.80 GRM5 (0.64) CNR2NPC1RAB9AMEN1KMT2A
SCHEMBL3870512 0.79 GRM5 (0.74) CNR2NPC1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715867-A4 BIPYRIDYL AMIDES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2009-04-15 EP disclosed
US-20070149547-A1 Bipyridyl amides as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-06-28 US disclosed
US-20070149547-A1 Bipyridyl amides as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-06-28 US disclosed
US-20070149547-A1 Bipyridyl amides as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-06-28 US disclosed
CN-1933838-A Bipyridyl amides as modulators of metabotropic glutamate receptor-5 MERCK & CO INC (US) 2007-03-21 CN disclosed
EP-1715867-A1 BIPYRIDYL AMIDES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2006-11-02 EP disclosed
WO-2005079802-A1 BIPYRIDYL AMIDES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2005-09-01 WO disclosed
WO-2005079802-A1 BIPYRIDYL AMIDES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 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 (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-20070149547-A1 Bipyridyl amides as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GABRA5 CNR2 92/4885CHRNB2 577/4885CHRNB4 372/4885

“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.