SCHEMBL4007864

SCHEMBL4007864

Cc1cc(Br)cc2cc(F)c(=O)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.38
GRIN2D O15399 4/20 0.38
GRIN3B O60391 4/20 0.38
GRIN2A Q12879 4/20 0.38
GRIN2B Q13224 4/20 0.38
GRIN2C Q14957 4/20 0.38
GRIN3A Q8TCU5 4/20 0.38
HSD17B10 Q99714 2/20 0.38
DAO P14920 3/20 0.36
DDO Q99489 2/20 0.36
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP2C9 P11712 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33

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
SCHEMBL19435615 0.79 BRD4 (0.40) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL2309179 0.76 KDM4E (0.51) GRIN1GRIN2AGRIN2BGRIN2CHSD17B10
SCHEMBL5973665 0.72 GRIN1 (0.64) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7264778 0.71 CA12 (0.46) HSD17B10DAODDOKDM4EALDH1A1
SCHEMBL12970315 0.71 GRIN2D (0.47) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL3031256 0.69 HPGD (0.46) HSD17B10DAOKMT2AMEN1NPC1
SCHEMBL29267034 0.67 IDO1 (0.36)
SCHEMBL3361286 0.67 DAO (0.60) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL12970080 0.66 BRD4 (0.43) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL27157783 0.66 KDM4E (0.40) KMT2AMEN1KDM4EALDH1A1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018163-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
US-20090018163-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
US-20090018163-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
WO-2009009633-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 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-20090018163-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders CNR1, CNR2, PMP22 GRIN1 166/4885GRIN2D 188/4885GRIN3B 191/4885

“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.