SCHEMBL2267720

SCHEMBL2267720

CCCCC(C1CCN(c2ccc(N)cc2)C1)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 3/20 0.40
GFER P55789 3/20 0.40
RAD52 P43351 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM2 Q14416 1/20 0.39
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
ADRA2C P18825 1/20 0.36
PTK2B Q14289 1/20 0.36
ESR2 Q92731 1/20 0.36
ACACB O00763 1/20 0.35
HRH4 Q9H3N8 2/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34

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
Iodide SCHEMBL2542712 0.99 DPP4 (0.40) DPP4MAPTKDM4EGAAGFER
SCHEMBL2266686 0.96 GRM2 (0.41) DPP4MAPTKDM4EGAAGFER
SCHEMBL2272227 0.95 GRM2 (0.43) DPP4MAPTKDM4EGAAGFER
SCHEMBL2265920 0.95 GRM2 (0.43) DPP4MAPTKDM4EGAAGFER
SCHEMBL2269580 0.95 GRM2 (0.43) DPP4MAPTKDM4EGAAGFER
Iodide SCHEMBL2537386 0.95 GRM2 (0.40) DPP4MAPTKDM4EGAAGFER
SCHEMBL2268005 0.95 GRM2 (0.43) DPP4MAPTKDM4EGAAGFER
Iodide SCHEMBL2540979 0.94 GRM2 (0.42) DPP4MAPTKDM4EGAAGFER
Iodide SCHEMBL2542758 0.94 GRM2 (0.42) DPP4MAPTKDM4EGAAGFER
Iodide SCHEMBL2540459 0.94 GRM2 (0.42) DPP4MAPTKDM4EGAAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8002847-B2 Composition for oxidation dyeing keratin fibres comprising a cationic cellulose ether, a weakly oxyethylenated sorbitan fatty acid ester and oxidation dyes L 'OREAL S.A. (FR) 2011-08-23 US claimed
US-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'OREAL S.A. (FR) 2010-11-04 US claimed
US-20040221400-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a monosaccharide or disaccharide, processes and uses L'OREAL (FR) 2004-11-11 US claimed
EP-2182914-B1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'ORÉAL (FR) 2017-11-08 EP disclosed
US-20040221400-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a monosaccharide or disaccharide, processes and uses L'OREAL (FR) 2004-11-11 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 (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-20040221400-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a monosaccharide or disaccharide, processes and uses KRT18, DPM1, DSG1 DPP4 344/4885MAPT 1357/4885KDM4E 3092/4885
US-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES KRT18, KRTCAP2, FASN DPP4 4830/4885MAPT 687/4885KDM4E 318/4885

“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.