SCHEMBL6414948

SCHEMBL6414948

CN1CCN(C)CCN(c2ccc(N)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 1.00
KDM4E B2RXH2 5/20 1.00
ALDH1A1 P00352 5/20 1.00
GFER P55789 4/20 1.00
GAA P10253 4/20 1.00
ADRA2C P18825 2/20 1.00
KMT2A Q03164 2/20 1.00
PTK2B Q14289 2/20 1.00
ESR2 Q92731 1/20 1.00
LMNA P02545 4/20 0.63
HTT P42858 3/20 0.63
MAPK1 P28482 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.62
RAD52 P43351 2/20 0.62
RECQL P46063 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MEN1 O00255 1/20 0.59
NPC1 O15118 1/20 0.59
USP2 O75604 1/20 0.59

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
SCHEMBL6151538 1.00 MAPT (1.00) MAPTKDM4EALDH1A1GFERGAA
SCHEMBL56547 1.00 MAPT (1.00) MAPTKDM4EALDH1A1GFERGAA
Hydrochloric Acid SCHEMBL3271552 0.98 MAPT (0.96) MAPTKDM4EALDH1A1GFERGAA
Hydrochloric Acid SCHEMBL4707631 0.98 MAPT (0.96) MAPTKDM4EALDH1A1GFERGAA
SCHEMBL25894824 0.94 MAPT (0.88) MAPTKDM4EALDH1A1GFERGAA
SCHEMBL217159 0.92 MAPT (0.85) MAPTKDM4EALDH1A1GFERGAA
Hydrochloric Acid SCHEMBL5203720 0.90 MAPT (0.81) MAPTKDM4EALDH1A1GFERGAA
SCHEMBL23347931 0.88 MAPT (0.77) MAPTKDM4EALDH1A1GFERGAA
SCHEMBL6151120 0.88 MAPT (0.77) MAPTKDM4EALDH1A1GFERGAA
SCHEMBL7043679 0.88 MAPT (0.77) MAPTKDM4EALDH1A1GFERGAA

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-20050120494-A1 Triazacyclononane derivatives substituted on at least one of the nitrogen atoms with a substituted or unsubstituted 4'-aminophenyl group, for dyeing keratin fibres L'OREAL S.A. (FR) 2005-06-09 US claimed

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-20050120494-A1 Triazacyclononane derivatives substituted on at least one of the nitrogen atoms with a substituted or unsubstituted 4'-aminophenyl group, for dyeing keratin fibres KRT18, TUBB6, TUBB1 MAPT 945/4885KDM4E 547/4885ALDH1A1 741/4885

“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.