SCHEMBL1477540

SCHEMBL1477540

C#Cc1ncccc1SC.c1cc2cc-2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
RAB9A P51151 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SYK P43405 1/20 0.30
AR P10275 1/20 0.30
CLK4 Q9HAZ1 2/20 0.30
DYRK1A Q13627 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL18867046 0.90 GRM5 (0.42) GRM5L3MBTL1HDAC8ALDH1A1LMNA
SCHEMBL1476624 0.88 GRM5 (0.38) GRM5L3MBTL1HDAC8RAB9AKDM4E
SCHEMBL1477483 0.78 CYP2A6 (0.40) GRM5
Hydrochloric Acid SCHEMBL1477173 0.77 CYP2A6 (0.39) GRM5
SCHEMBL1477713 0.76 RORB (0.37) GRM5L3MBTL1RAB9AKDM4EALDH1A1
SCHEMBL1476448 0.75 NFE2L2 (0.33) GRM5RAB9ACLK4NPC1POLB
SCHEMBL1477323 0.75 HDAC8 (0.40) GRM5L3MBTL1HDAC8RAB9AKDM4E
SCHEMBL1476408 0.75 MEN1 (0.35) GRM5RAB9AKDM4EALDH1A1LMNA
SCHEMBL1477049 0.75 CYP2A6 (0.33) GRM5HDAC8RAB9AKDM4ELMNA
SCHEMBL1476737 0.74 PDGFRB (0.40) GRM5L3MBTL1RAB9ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915424-B2 Analgesics; anxiolytic agents ELI LILLY AND COMPANY (US) 2011-03-29 US disclosed
EP-1729771-B1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-14 EP disclosed
US-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists ELI LILLY AND COMPANY (US) 2008-08-14 US disclosed
EP-1729771-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2006-12-13 EP disclosed
WO-2005094822-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-13 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-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists HRH4, CNR2, CNR1 GRM5 48/4885L3MBTL1 2142/4885ABCG2 2360/4885

“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.