SCHEMBL6712341

SCHEMBL6712341

Nc1ccc(NC2CNCC2N)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX12 P18054 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PLK4 O00444 2/20 0.32
RAB9A P51151 1/20 0.31
RAD52 P43351 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL6710580 0.80 DDB1 (0.37) DDB1CRBNCHRNB2CHRNA4MAPT
SCHEMBL6709036 0.77 ALDH1A1 (0.41) ALDH1A1CYP3A4HTT
SCHEMBL6710517 0.74 ALDH1A1 (0.40) MAPTALDH1A1CYP3A4HTT
SCHEMBL6707666 0.74 RAD52 (0.38) CHRNB2CHRNA4MAPTALDH1A1CYP1A2
SCHEMBL6707565 0.72
SCHEMBL6708901 0.72
SCHEMBL21460310 0.71 LMNA (0.44) MAPTALDH1A1HTT
SCHEMBL6708886 0.71 PYGL (0.32)
SCHEMBL13176507 0.70 GAA (0.44) DDB1CRBNMAPTALDH1A1CYP1A2
SCHEMBL6712198 0.69 CHRNB2 (0.31) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040074013-A1 Oxidation dyeing composition based on 1-(4-aminophenyl) pyrrolidines substituted in positions 3 and 4, and dyeing method using same L'OREAL S.A. (FR) 2004-04-22 US claimed
EP-1341510-A1 OXIDATION DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED IN POSITIONS 3 AND 4, AND DYEING METHOD USING SAME L'OREAL (FR) 2003-09-10 EP claimed
WO-2002045671-A1 OXIDATION DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED IN POSITIONS 3 AND 4, AND DYEING METHOD USING SAME L'OREAL (FR) 2002-06-13 WO claimed
US-20040074013-A1 Oxidation dyeing composition based on 1-(4-aminophenyl) pyrrolidines substituted in positions 3 and 4, and dyeing method using same L'OREAL S.A. (FR) 2004-04-22 US disclosed
EP-1341510-A1 OXIDATION DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED IN POSITIONS 3 AND 4, AND DYEING METHOD USING SAME L'OREAL (FR) 2003-09-10 EP disclosed
WO-2002045671-A1 OXIDATION DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED IN POSITIONS 3 AND 4, AND DYEING METHOD USING SAME 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-20040074013-A1 Oxidation dyeing composition based on 1-(4-aminophenyl) pyrrolidines substituted in positions 3 and 4, and dyeing method using same KRT18, PYCR1, COX5A DDB1 1322/4885CRBN 2814/4885CHRNB2 2431/4885

“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.