SCHEMBL3860152

SCHEMBL3860152

C#Cc1cccc(NC(=O)c2cccc(C)n2)n1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.73
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 1/20 0.52
P2RX7 Q99572 1/20 0.51
KMT2A Q03164 1/20 0.50
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
SORT1 Q99523 1/20 0.47

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
SCHEMBL3860373 0.86 GRM5 (0.73) GRM5RAB9ANPC1TP53POLB
SCHEMBL3860067 0.85 GRM5 (1.00) GRM5RAB9ANPC1TP53POLB
SCHEMBL23853820 0.79 RAB9A (0.44) GRM5RAB9ANPC1HPGDSMN1; SMN2
SCHEMBL3863866 0.78 GRM5 (0.89) GRM5RAB9ANPC1TP53POLB
SCHEMBL8283072 0.78 GRM5 (0.79) GRM5RAB9ANPC1TP53POLB
SCHEMBL2767963 0.77 KDM4E (0.56) GRM5RAB9ANPC1HPGDSMN1; SMN2
SCHEMBL3862751 0.76 GRM5 (0.75) GRM5RAB9ANPC1TP53POLB
SCHEMBL3870512 0.75 GRM5 (0.74) GRM5RAB9ANPC1TP53POLB
SCHEMBL3860869 0.75 GRM5 (1.00) GRM5RAB9ANPC1TP53POLB
SCHEMBL3868972 0.75 GRM5 (0.73) GRM5RAB9ANPC1TP53POLB

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 GRM5 1/4885RAB9A 1748/4885NPC1 3248/4885

“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.