SCHEMBL6764751

SCHEMBL6764751

O=[N+]([O-])c1ccc(N2CCCC2CNCCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
PPARG P37231 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
FFAR1 O14842 4/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM3 P20309 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL1092846 0.83 MAPT (0.47) MAPTPPARGALDH1A1MAPK1FFAR1
SCHEMBL223024 0.83 MAPT (0.47) MAPTPPARGALDH1A1MAPK1FFAR1
SCHEMBL5653005 0.83 MAPT (0.47) MAPTPPARGALDH1A1MAPK1FFAR1
SCHEMBL6764754 0.81 FFAR1 (0.40) PPARGFFAR1
Hydrochloric Acid SCHEMBL6763546 0.80 FFAR1 (0.40) MAPTPPARGALDH1A1FFAR1HTT
Hydrochloric Acid SCHEMBL6764128 0.80 FFAR1 (0.40) MAPTPPARGALDH1A1FFAR1HTT
SCHEMBL3136982 0.79 CUL4A (0.51) MAPTALDH1A1ALOX12HTTLMNA
Methoxymethane SCHEMBL5822675 0.79 MAPT (0.48) MAPTPPARGALDH1A1MAPK1FFAR1
SCHEMBL6095682 0.78 MAPT (0.47) MAPTPPARGALDH1A1MAPK1FFAR1
SCHEMBL13292851 0.78 KMT2A (0.50) MAPTALDH1A1MAPK1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040088799-A1 Oxidation dyeing composition based on 1-(4-aminophenyl) pyrrolidines substituted in position 2 L'OREAL S.A. (FR) 2004-05-13 US disclosed
EP-1341509-A1 OXIDATION DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED IN POSITION 2 L'OREAL (FR) 2003-09-10 EP disclosed
WO-2002045670-A1 OXIDATION DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED IN POSITION 2 L'OREAL (FR) 2002-06-13 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-20040088799-A1 Oxidation dyeing composition based on 1-(4-aminophenyl) pyrrolidines substituted in position 2 PYCR1, COX5A, COX5B MAPT 1001/4885PPARG 3267/4885ALDH1A1 195/4885

“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.