SCHEMBL5245686

SCHEMBL5245686

CCCCCCCCCCCCCC[N+](C)(C)C1CCN(c2ccc(N)cc2)C1.CN(C)C(=N)N

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.37
DPP4 P27487 9/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAD52 P43351 1/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SPHK1 Q9NYA1 7/20 0.31
SPHK2 Q9NRA0 6/20 0.31
S1PR1 P21453 1/20 0.31

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
SCHEMBL2268631 0.90 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
SCHEMBL2266681 0.90 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
SCHEMBL2272222 0.90 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
SCHEMBL2267999 0.90 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
SCHEMBL2269575 0.90 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
SCHEMBL2265915 0.90 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
Iodide SCHEMBL7141929 0.89 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
Iodide SCHEMBL2537383 0.89 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
Iodide SCHEMBL2540978 0.89 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
Iodide SCHEMBL6401114 0.89 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1428514-B1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, a tertiary paraphenylenediamine and a benzomorpholine coupler; method and use OREAL (FR) 2007-09-19 EP claimed
US-7101406-B2 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses L'OREAL (FR) 2006-09-05 US claimed
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses L'OREAL (FR) 2004-11-25 US claimed
US-20040221399-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses L'OREAL (FR) 2004-11-11 US claimed
US-20040216244-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and an organic diacid, methods and uses L'OREAL (FR) 2004-11-04 US claimed
US-20040216246-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a polymer containing a fatty chain, methods and uses L'OREAL (FR) 2004-11-04 US claimed
US-20040216245-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a para-aminophenol, methods and uses L'OREAL (FR) 2004-11-04 US claimed
US-7101406-B2 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses L'OREAL (FR) 2006-09-05 US disclosed
US-20060112502-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses L'OREAL (FR) 2006-06-01 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 (6 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-20060112502-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses KRT18, CDC73, NUP205 GRM2 4674/4885DPP4 2362/4885KDM4E 1328/4885
US-20040216246-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a polymer containing a fatty chain, methods and uses KRT18, PLIN5, PLIN1 GRM2 4302/4885DPP4 2590/4885KDM4E 1845/4885
US-20040216245-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a para-aminophenol, methods and uses KRT18, CDC73, NUP205 GRM2 4488/4885DPP4 1333/4885KDM4E 1079/4885
US-20040221399-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses KRT18, CDC73, NUP205 GRM2 4674/4885DPP4 2362/4885KDM4E 1328/4885
US-20040216244-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and an organic diacid, methods and uses KRT18, CDC73, DDC GRM2 4712/4885DPP4 2152/4885KDM4E 1832/4885
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses KRT18, CDC73, PYCR1 GRM2 4016/4885DPP4 3854/4885KDM4E 1620/4885

“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.