SCHEMBL5857643

SCHEMBL5857643

N#Cc1cc(N)ccc1N1CCN(CCO)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
GAA P10253 3/20 0.53
HSD17B10 Q99714 1/20 0.53
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.48
RAD52 P43351 2/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 1/20 0.43
GFER P55789 1/20 0.43
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHUK O15111 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CSF1R P07333 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL6052414 0.87 GAA (0.50) MAPTGAAHSD17B10LMNAKDM4E
SCHEMBL429373 0.83 DRD4 (0.52) MAPTGAALMNADRD2DRD3
SCHEMBL6052407 0.82 GAA (0.60) MAPTGAAHSD17B10LMNAKDM4E
SCHEMBL16129032 0.81 MAPT (0.62) MAPTGAAHSD17B10KDM4ERAD52
SCHEMBL29703766 0.80 MAPT (0.63) MAPTGAAHSD17B10LMNAKDM4E
SCHEMBL5654064 0.80 MAPT (0.63) MAPTGAAHSD17B10LMNAKDM4E
SCHEMBL3027517 0.79 MAPT (0.57) MAPTGAALMNAKDM4ERAD52
SCHEMBL188923 0.79 MAPT (0.68) MAPTGAALMNAKDM4ERAD52
SCHEMBL28873296 0.79 MAPT (0.50) MAPTGAAHSD17B10LMNAKDM4E
SCHEMBL9118791 0.79 DRD2 (0.56) MAPTDRD2DRD3NPSR1HTR2A

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-7112594-B2 Fused bicyclic amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-26 US disclosed
US-7015218-B1 Amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-03-21 US disclosed
CN-1230421-C Amide compound and pharmaceutical use thereof MITSUBISHI CHEM CORP (JP) 2005-12-07 CN disclosed
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
US-20030203909-A1 Fused bicyclic amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-10-30 US disclosed
EP-1310488-A1 FUSED BICYCLIC AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-14 EP disclosed
CN-1346348-A Amide compound and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL (JP) 2002-04-24 CN disclosed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 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-20030203909-A1 Fused bicyclic amide compounds and medicinal use thereof BET1, NFATC1, ARG1 MAPT 4876/4885GAA 3435/4885HSD17B10 1731/4885

“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.