SCHEMBL3338065

SCHEMBL3338065

Cc1n[nH]c(C)c1-c1cccc(CCN)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 3/20 0.54
CHEK1 O14757 1/20 0.54
HTR7 P34969 3/20 0.50
TAAR1 Q96RJ0 6/20 0.47
IKBKB O14920 2/20 0.44
IKBKE Q14164 1/20 0.44
KMT2A Q03164 1/20 0.41
KARS1 Q15046 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
HTR1A P08908 1/20 0.39
ACVR1 Q04771 1/20 0.39

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
SCHEMBL3338619 0.83 HTR7 (0.62) AKT2CHEK1HTR7TAAR1IKBKB
SCHEMBL3338676 0.83 CHEK1 (0.51) AKT2CHEK1HTR7TAAR1IKBKB
SCHEMBL3341674 0.81 CHEK1 (0.49) AKT2CHEK1HTR7IKBKBIKBKE
SCHEMBL3340562 0.80 DRD2 (0.49) AKT2CHEK1HTR7DRD2DRD1
SCHEMBL1977037 0.76 AKT2 (0.54) AKT2CHEK1IKBKBIKBKEKMT2A
SCHEMBL13035810 0.76 AKT2 (0.67) AKT2CHEK1IKBKBIKBKEKMT2A
SCHEMBL24514606 0.74 AKT2 (0.59) AKT2CHEK1TAAR1IKBKBIKBKE
SCHEMBL5217255 0.73 BRD4 (0.55) HTR7TAAR1
SCHEMBL1048316 0.73 HTR7 (0.61) HTR7TAAR1KARS1DRD2DRD1
SCHEMBL30829475 0.73 AKT2 (0.62) AKT2CHEK1IKBKBIKBKEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152252-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE,S.A. (ES) 2010-06-17 US claimed
CN-101616897-A The ethylamino-phenyl derivatives that heterocyclic radical replaces, its preparation and as the purposes of medicament ESTEVE LABOR DR 2009-12-30 CN claimed
EP-2114894-A1 HETEROCYCLYL-SUBSTITUTED-EHYLAMINO-PHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-11-11 EP claimed
WO-2008077625-A1 HETEROCYCLYL-SUBSTITUTED-EHYLAMINO-PHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-07-03 WO claimed
US-20100152252-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE,S.A. (ES) 2010-06-17 US disclosed
US-20100152252-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE,S.A. (ES) 2010-06-17 US disclosed
US-20100152252-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE,S.A. (ES) 2010-06-17 US disclosed
CN-101616897-A The ethylamino-phenyl derivatives that heterocyclic radical replaces, its preparation and as the purposes of medicament ESTEVE LABOR DR 2009-12-30 CN disclosed
EP-2114894-A1 HETEROCYCLYL-SUBSTITUTED-EHYLAMINO-PHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-11-11 EP disclosed
WO-2008077625-A1 HETEROCYCLYL-SUBSTITUTED-EHYLAMINO-PHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-07-03 WO 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-20100152252-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments PKM, PKLR, HNMT AKT2 3617/4885CHEK1 2634/4885HTR7 630/4885

“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.