SCHEMBL4590450

SCHEMBL4590450

CCOC(=O)c1cnc(NCCCOC)c(N)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.64
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
JAK3 P52333 1/20 0.38
CYP3A4 P08684 2/20 0.38
ABCB11 O95342 1/20 0.38
ADRA2B P18089 1/20 0.38
OPRD1 P41143 1/20 0.38
SCN5A Q14524 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAOA P21397 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL4590520 0.90 PTGER4 (0.50) PTGER4ALDH1A1MAPTRAB9AGAA
SCHEMBL14159520 0.84 PTGER4 (0.50) PTGER4ALDH1A1MAPTRAB9ACYP2C9
SCHEMBL4590756 0.82 ALDH1A1 (0.57) PTGER4ALDH1A1MAPTRAB9AGAA
SCHEMBL2249794 0.79 CYP2C9 (0.48) PTGER4ALDH1A1MAPTRAB9ACYP2C9
SCHEMBL15774530 0.78 PTGER4 (1.00) PTGER4ALDH1A1MAPTRAB9AGAA
SCHEMBL8187389 0.78 ALDH1A1 (0.52) PTGER4ALDH1A1MAPTRAB9ACYP2C9
SCHEMBL3222737 0.78 ALDH1A1 (0.52) PTGER4ALDH1A1MAPTRAB9ACYP2C9
SCHEMBL13428784 0.74 MAPT (0.43) PTGER4ALDH1A1MAPTRAB9AKMT2A
SCHEMBL8182709 0.74 PTGER4 (0.42) PTGER4ALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL24214070 0.74 HCAR3 (0.49) PTGER4ALDH1A1MAPTHPGDLMNA

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-20080146536-A1 2-Aminoimidazopyridines for treating neurodegenerative diseases PHARMACOPEIA, INC. (US) 2008-06-19 US disclosed
US-20080146536-A1 2-Aminoimidazopyridines for treating neurodegenerative diseases PHARMACOPEIA, INC. (US) 2008-06-19 US disclosed
US-20080146536-A1 2-Aminoimidazopyridines for treating neurodegenerative diseases PHARMACOPEIA, INC. (US) 2008-06-19 US disclosed
WO-2007022305-A2 2-AMINOIMIDAZOPYRIDINES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-02-22 WO disclosed
WO-2007022305-A2 2-AMINOIMIDAZOPYRIDINES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-02-22 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-20080146536-A1 2-Aminoimidazopyridines for treating neurodegenerative diseases ADORA2A, ADORA1, ADORA3 PTGER4 618/4885ALDH1A1 885/4885MAPT 309/4885

“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.