SCHEMBL3864653

SCHEMBL3864653

Nc1nc(N2CCCCC2)c(Cl)nc1C(=O)Nc1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 1.00
RAB9A P51151 3/20 0.51
SLC9A5 Q14940 2/20 0.51
PLAU P00749 2/20 0.51
ADORA2A P29274 2/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
SLC9A1 P19634 1/20 0.51
ADORA2B P29275 1/20 0.51
CYP2C19 P33261 1/20 0.51
THPO P40225 1/20 0.51
PMP22 Q01453 1/20 0.51
KMT2A Q03164 1/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL3868074 0.76 GRM5 (0.75) GRM5RAB9ANPC1KMT2AATR
SCHEMBL12288563 0.76 GRM5 (0.61) GRM5RAB9ASLC9A5PLAUADORA2A
SCHEMBL3868810 0.75 GRM5 (0.73) GRM5RAB9ANPC1MEN1TP53
SCHEMBL3863857 0.75 GRM5 (1.00) GRM5RAB9ANPC1ALDH1A1TP53
SCHEMBL12288569 0.74 GRM5 (0.59) GRM5RAB9ASLC9A5PLAUADORA2A
Hydrochloric Acid SCHEMBL661710 0.74 GRM5 (0.98) GRM5RAB9ANPC1ALDH1A1TP53
SCHEMBL3861431 0.74 GRM5 (0.64) GRM5RAB9AADORA2ANPC1ADORA3
SCHEMBL26106945 0.74 GRM5 (0.58) GRM5RAB9ASLC9A5PLAUADORA2A
SCHEMBL3868890 0.74 GRM5 (0.71) GRM5RAB9ANPC1MEN1ALDH1A1
SCHEMBL3860010 0.73 GRM5 (0.72) GRM5RAB9APLAUNPC1KMT2A

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 7 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
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 1748/4885SLC9A5 826/4885

“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.