SCHEMBL4720449

SCHEMBL4720449

O=C1CN(Cc2ccccc2)CC(=O)N1c1ccc2[nH]ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.52
ACHE P22303 3/20 0.47
SIGMAR1 Q99720 2/20 0.47
HTR4 Q13639 1/20 0.47
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 3/20 0.46
FAAH O00519 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
CYP19A1 P11511 1/20 0.41
MAP3K11 Q16584 1/20 0.39
DRD4 P21917 2/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
NPC1 O15118 1/20 0.39
GRIN1 Q05586 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1D P28221 1/20 0.39

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
SCHEMBL3956471 0.80 SLC6A2 (0.48) MAPK14ACHESIGMAR1HTR4SLC6A2
SCHEMBL4313225 0.78 MAPK14 (0.61) MAPK14ACHESIGMAR1HTR4SLC6A2
SCHEMBL11527905 0.72 CYP3A4 (0.45) SIGMAR1MAPTMEN1KMT2A
SCHEMBL803139 0.71 KMT2A (0.50) KDM4EMAPTNPC1MEN1KMT2A
SCHEMBL7845678 0.70 HPGD (0.55) SLC6A2SLC6A4SLC6A3KDM4EMAPT
SCHEMBL5445086 0.68 MKNK1 (0.60) MAPK14CYP19A1NPC1
SCHEMBL16573702 0.68 MAPK14 (1.00) MAPK14ACHESIGMAR1HTR4FAAH
SCHEMBL8889477 0.68 CYP3A4 (0.46) MAPK14NPC1MEN1KMT2A
SCHEMBL5755075 0.68 FAAH (0.61) MAPK14SIGMAR1FAAHKDM4EMAPT
SCHEMBL982894 0.68 ALDH1A1 (0.44) MAPK14ACHESIGMAR1HTR4SLC6A2

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
EP-1396487-B1 PHENYLPYRIDINE CARBONYL PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2008-12-10 EP disclosed
US-7196080-B2 Respiratory system disordeers; chronic obstructive pulminary disease ASTELLAS PHARMA INC. (JP) 2007-03-27 US disclosed
US-20040192701-A1 Phenlypyridine carbonyl piperazine derivative ASTELLAS PHARMA INC. (JP) 2004-09-30 US disclosed
EP-1396487-A1 PHENYLPYRIDINE CARBONYL PIPERAZINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-03-10 EP 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-20040192701-A1 Phenlypyridine carbonyl piperazine derivative PDE5A, PDE4A, PDE3B MAPK14 2603/4885ACHE 110/4885SIGMAR1 1024/4885

“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.