SCHEMBL5515577

SCHEMBL5515577

NC(=O)[N]CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.53
GRIN2B Q13224 3/20 0.53
HTR3A P46098 1/20 0.52
HIF1A Q16665 4/20 0.52
LMNA P02545 3/20 0.52
TSHR P16473 2/20 0.52
ADRA1A P35348 2/20 0.52
SLC6A3 Q01959 2/20 0.52
SLC22A2 O15244 1/20 0.52
SLC22A1 O15245 1/20 0.52
ADRA2A P08913 1/20 0.52
CYP2D6 P10635 1/20 0.52
ADRA2B P18089 1/20 0.52
SLC6A2 P23975 1/20 0.52
HTR2B P41595 1/20 0.52
PDE3A Q14432 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
MAPT P10636 2/20 0.50
KEAP1 Q14145 1/20 0.48

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
SCHEMBL1118662 0.83 KEAP1 (0.52) GRIN1GRIN2BHTR3AHIF1ALMNA
SCHEMBL8393618 0.79 ALDH1A1 (0.61) GRIN1GRIN2BHIF1ALMNATSHR
SCHEMBL7630047 0.79 NOS1 (0.57) GRIN1GRIN2BHTR3AHIF1ALMNA
SCHEMBL689470 0.78 GRIN2B (0.50) GRIN1GRIN2BHIF1ASMN1; SMN2SCN2A
SCHEMBL5509994 0.78 CHRNA7 (0.53) MAPTCYP2A6
SCHEMBL8010207 0.78 GRIN1 (0.52) GRIN1GRIN2BHIF1ALMNATSHR
SCHEMBL5504605 0.78 CES1 (0.50) GRIN1GRIN2BHIF1ALMNATSHR
Urea SCHEMBL2006220 0.77 FFAR1 (0.62) HTR3ALMNAADRA1ASLC6A3SMN1; SMN2
Carbamic Acid SCHEMBL2222080 0.77 FFAR1 (0.62) HTR3ALMNAADRA1ASLC6A3SMN1; SMN2
Carbamic Acid SCHEMBL8092472 0.75 FFAR1 (0.60) LMNAADRA1ASLC6A3SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5401766-A Hypotensive agents with vasodilation HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-28 US claimed
US-5158959-A Treatment of hypertension HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-27 US claimed
US-7223755-B2 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-05-29 US disclosed
EP-1654244-A1 3-ARYL-4-HYDROXYFURANONE COMPOUNDS AND PHARMACEUTICAL AND VETERINARY COMPOSITIONS CONTAINING THEM Wyeth (US) 2006-05-10 EP disclosed
US-20060052627-A1 Novel modulators of the PPAR-type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-03-09 US disclosed
US-20060035969-A1 Novel modulators of the PPAR-type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-02-16 US disclosed
US-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-08-11 US disclosed
WO-2005019196-A1 3-ARYL-4-HYDROXYFURANONE COMPOUNDS AND PHARMACEUTICAL AND VETERINARY COMPOSITIONS CONTAINING THEM WYETH (US) 2005-03-03 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 (3 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-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof CAPN1, OPRM1, CAPN2 GRIN1 70/4885GRIN2B 74/4885HTR3A 22/4885
US-20060052627-A1 Novel modulators of the PPAR-type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA GRIN1 1564/4885GRIN2B 1620/4885HTR3A 1087/4885
US-20060035969-A1 Novel modulators of the PPAR-type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA GRIN1 1564/4885GRIN2B 1620/4885HTR3A 1087/4885

“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.