SCHEMBL6804000

SCHEMBL6804000

O=C(Cc1ccccn1)N1CCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.52
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
EIF2AK3 Q9NZJ5 1/20 0.45
ROCK1 Q13464 1/20 0.45
HTR1A P08908 2/20 0.45
HTR1D P28221 2/20 0.45
HTR1B P28222 2/20 0.45
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR2C P28335 1/20 0.43
DRD4 P21917 1/20 0.42

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
SCHEMBL6501814 0.91 HTR2C (0.53) MAPTSMN1; SMN2ALDH1A1L3MBTL1EIF2AK3
SCHEMBL6638802 0.82 EIF2AK3 (0.52) MAPTSMN1; SMN2ALDH1A1L3MBTL1EIF2AK3
SCHEMBL6635461 0.81 ALDH1A1 (0.63) MAPTSMN1; SMN2ALDH1A1L3MBTL1EIF2AK3
SCHEMBL6639906 0.80 MAPT (0.60) MAPTSMN1; SMN2ALDH1A1L3MBTL1NPC1
SCHEMBL6801884 0.78 ROCK1 (0.47) ALDH1A1L3MBTL1ROCK1NPC1KMT2A
SCHEMBL30912017 0.78 DRD2 (0.64) DRD2MAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL21712168 0.78 DRD2 (0.64) DRD2MAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL29191135 0.77 TLR7 (0.57) DRD2MAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6666818 0.77 SMO (0.45) MAPTALDH1A1L3MBTL1EIF2AK3NPC1
SCHEMBL6666114 0.76 SMO (0.47) MAPTSMN1; SMN2ALDH1A1EIF2AK3NPC1

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-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 DRD2 3279/4885MAPT 4047/4885SMN1; SMN2 1854/4885

“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.