SCHEMBL4179927

SCHEMBL4179927

O=C1CNc2cc(CCC3CCN(C(=O)O)CC3)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
ACHE P22303 1/20 0.35
KCNH2 Q12809 3/20 0.35
FAAH O00519 2/20 0.34
TBK1 Q9UHD2 4/20 0.34
SPR P35270 1/20 0.33
KCNJ1 P48048 1/20 0.33
MAOB P27338 1/20 0.33
PARP14 Q460N5 1/20 0.32
ICAM1 P05362 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL4195745 0.86 GPR119 (0.45) FAAHKDM4E
Hydrochloric Acid SCHEMBL4197686 0.81 KHK (0.35) GPR84
SCHEMBL4190719 0.79 HSD11B1 (0.37) FAAHSPRALDH1A1
SCHEMBL4184390 0.78 FAAH (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4183507 0.74 ALOX5 (0.37) KCNH2TBK1MAOBICAM1KDM4E
SCHEMBL4183506 0.74 ALOX5 (0.37) KCNH2TBK1MAOBICAM1KDM4E
SCHEMBL28098494 0.70 MAOB (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1581891 0.70 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8670678 0.70 MAOA (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15953393 0.70 KCNH2 (0.62) ACHEKCNH2KCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 US 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-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS HTR5A, CRH, CYP17A1 GRIN2D 349/4885GRIN3B 493/4885GRIN1 588/4885

“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.