SCHEMBL6270986

SCHEMBL6270986

Nc1ccc(N)c(CN2CCC(O)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.51
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.40
CCR5 P51681 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
RAB9A P51151 2/20 0.38
NR1H2 P55055 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
DRD2 P14416 1/20 0.37

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
Hydrochloric Acid SCHEMBL6270877 0.98 ACHE (0.53) ACHEKDM4EALDH1A1LMNAMAPT
SCHEMBL6274032 0.91 ACHE (0.45) ACHEKDM4EALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL6273972 0.89 ACHE (0.47) ACHEKDM4EALDH1A1LMNAGAA
SCHEMBL6336253 0.87 ACHE (0.47) ACHEKDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL6338976 0.86 KDM4E (0.49) ACHEKDM4EALDH1A1LMNAMAPT
SCHEMBL7036220 0.84 ACHE (0.58) ACHEKDM4EALDH1A1LMNAMAPT
SCHEMBL6272513 0.82 ALDH1A1 (0.52) ACHEKDM4EALDH1A1GAACCR5
SCHEMBL6271150 0.81 ACHE (0.69) ACHEKDM4EALDH1A1MAPTTDP1
Hydrochloric Acid SCHEMBL7034187 0.81 ALDH1A1 (0.51) ACHEKDM4EALDH1A1GAACCR5
SCHEMBL8550581 0.80 MAPT (0.57) ACHEKDM4EALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1116711-B1 2-aminoalkyl-1,4-diaminobenzene derivatives and dye composition containing these compounds WELLA AG (DE) 2005-12-14 EP disclosed
US-6800097-B2 FOR DYEING KERATIN FIBERS; HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-10-05 US disclosed
US-6780998-B2 DEVELOPER-COUPLER SUBSTANCE COMBINATION HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-08-24 US disclosed
US-20030070241-A1 Substituted 2-aminoalkyl-1,4-Diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-04-17 US disclosed
US-20020189033-A1 Substituted 2-aminoalkyl-1,4diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2002-12-19 US disclosed
US-6436152-B1 Substituted 2-aminoalky-1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-08-20 US disclosed
EP-1116711-A2 2-aminoalkyl-1,4-diaminobenzene derivatives and dye composition containing these compounds Wella Aktiengesellschaft (DE) 2001-07-18 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 (2 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-20020189033-A1 Substituted 2-aminoalkyl-1,4diaminobenzene compounds and oxidation dye precursor compositions containing same DDT, CYP1B1, ALDH7A1 ACHE 3247/4885KDM4E 747/4885ALDH1A1 8/4885
US-20030070241-A1 Substituted 2-aminoalkyl-1,4-Diaminobenzene compounds and oxidation dye precursor compositions containing same DDT, ALDH7A1, DDC ACHE 3333/4885KDM4E 1141/4885ALDH1A1 7/4885

“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.