SCHEMBL4219043

SCHEMBL4219043

N#Cc1cc(NC(=O)CBr)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.54
KCNH2 Q12809 1/20 0.50
AR P10275 3/20 0.47
AKT1 P31749 1/20 0.47
BLM P54132 1/20 0.46
WRN Q14191 1/20 0.46
TSHR P16473 3/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7930452 0.85 GRM4 (0.54) GRM4KCNH2ARAKT1BLM
SCHEMBL24061321 0.85 TSHR (0.61) GRM4KCNH2ARAKT1BLM
SCHEMBL31703118 0.85 GRM4 (0.58) GRM4KCNH2ARAKT1BLM
SCHEMBL4224722 0.82 POLB (0.50) ALDH1A1HPGDCYP1A2CYP2C19KDM4E
SCHEMBL4900667 0.81 GRM4 (0.59) GRM4KCNH2ARAKT1BLM
SCHEMBL8481692 0.80 TSHR (0.59) TSHRALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL3554749 0.80 ALDH1A1 (0.63) GRM4BLMWRNALDH1A1HPGD
SCHEMBL29824380 0.77 GRM4 (0.56) GRM4KCNH2BLMWRNALDH1A1
SCHEMBL12777490 0.77 GRM4 (0.56) GRM4ARBLMWRNALDH1A1
SCHEMBL3008351 0.77 GRM4 (0.56) GRM4KCNH2ARBLMWRN

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
US-20090326027-A1 N-Phenyl-2-0X0-1,4-Diazaspiro [4.5] Dec-3-EN-1-YL Acetamide Derivatives And Their Use As Glycine Transporter Inhibitors GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
US-20090326027-A1 N-Phenyl-2-0X0-1,4-Diazaspiro [4.5] Dec-3-EN-1-YL Acetamide Derivatives And Their Use As Glycine Transporter Inhibitors GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
US-20090326027-A1 N-Phenyl-2-0X0-1,4-Diazaspiro [4.5] Dec-3-EN-1-YL Acetamide Derivatives And Their Use As Glycine Transporter Inhibitors GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
US-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
WO-2007104775-A1 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-09-20 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 (2 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-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof SLC18A2, SLC1A2, SLC1A1 GRM4 106/4885KCNH2 2771/4885AR 3345/4885
US-20090326027-A1 N-Phenyl-2-0X0-1,4-Diazaspiro [4.5] Dec-3-EN-1-YL Acetamide Derivatives And Their Use As Glycine Transporter Inhibitors SLC1A2, SLC1A1, SLC6A3 GRM4 152/4885KCNH2 1654/4885AR 4010/4885

“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.