SCHEMBL5201853

SCHEMBL5201853

CC(CNC1CCN(c2ccc(N)cc2)C1)Cn1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.42
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HRH4 Q9H3N8 5/20 0.37
QPCT Q16769 2/20 0.36
MCHR1 Q99705 2/20 0.35
CYP3A4 P08684 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KCNH2 Q12809 1/20 0.34
MOGAT2 Q3SYC2 2/20 0.34
USP28 Q96RU2 1/20 0.33
USP25 Q9UHP3 1/20 0.33

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
SCHEMBL5201002 0.81 QPCT (0.41) CYP19A1CYP11B1CYP11B2QPCTCYP3A4
SCHEMBL5964466 0.74 MAPT (0.44) HRH4LMNAMAPTMOGAT2USP28
Hydrochloric Acid SCHEMBL6766934 0.72 CYP2B6 (0.46) CYP19A1CYP11B1CYP11B2LMNAMAPT
SCHEMBL5964548 0.70 GFER (0.39) HRH4MAPTMOGAT2USP28USP25
SCHEMBL6764157 0.70 MAPT (0.41) HRH4LMNAMAPTMOGAT2USP28
SCHEMBL5924898 0.69 HRH4 (0.47) HRH4MAPTUSP28USP25
SCHEMBL5202386 0.68 MAOA (0.52) CYP19A1QPCTMAPT
SCHEMBL15244613 0.68 GFER (0.44) LMNAMAPT
SCHEMBL5200511 0.67 MAPT (0.45) CYP19A1CYP11B1CYP11B2CYP3A4LMNA
SCHEMBL2636071 0.66 HRH4 (0.54) HRH4MCHR1MAPT

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
EP-1378230-B1 Para-phenylenediamine derivatives comprising a pyrrolidinyl group substituted by a cyclic radical and their use in colouring keratinic fibres OREAL (FR) 2007-11-14 EP claimed
US-7132534-B2 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers L'OREAL (FR) 2006-11-07 US claimed
US-20040077852-A1 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers L'OREAL S.A. (FR) 2004-04-22 US claimed
EP-1378230-A1 Para-phenylenediamine derivatives comprising a pyrrolidinyl group substituted by a cyclic radical and their use in colouring keratinic fibres L'OREAL (FR) 2004-01-07 EP claimed
US-20040077852-A1 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers L'OREAL S.A. (FR) 2004-04-22 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 (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-20040077852-A1 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers KRT18, CDC73, VIM CYP19A1 4095/4885CYP11B1 4287/4885CYP11B2 4272/4885

“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.