SCHEMBL3548441

SCHEMBL3548441

CC(=O)N1CCCN(c2ccc(N)cc2)CC1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 7/20 0.87
CASP6 P55212 1/20 0.87
MAPT P10636 12/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
GAA P10253 9/20 0.53
ALDH1A1 P00352 9/20 0.53
KDM4E B2RXH2 6/20 0.53
ALOX15 P16050 5/20 0.53
HTT P42858 5/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HSD17B10 Q99714 2/20 0.53
USP2 O75604 1/20 0.53
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.53
THRB P10828 1/20 0.53
RECQL P46063 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL6152043 0.93 GFER (1.00) GFERCASP6MAPTKMT2AMEN1
SCHEMBL188503 0.93 GFER (1.00) GFERCASP6MAPTKMT2AMEN1
SCHEMBL6152986 0.93 GFER (1.00) GFERCASP6MAPTKMT2AMEN1
SCHEMBL2362329 0.85 GFER (0.63) GFERCASP6MAPTKMT2AMEN1
SCHEMBL3027791 0.84 GFER (0.61) GFERCASP6MAPTKMT2AMEN1
SCHEMBL15707566 0.83 AKR1C3 (0.65) GFERCASP6MAPTKMT2AMEN1
SCHEMBL4985735 0.81 AKR1C3 (0.68) GFERCASP6MAPTKMT2AMEN1
SCHEMBL13061748 0.81 MAPT (0.69) GFERCASP6MAPTKMT2AMEN1
SCHEMBL13009470 0.81 MAPT (0.67) GFERCASP6MAPTKMT2AMEN1
SCHEMBL378044 0.81 TRIM24 (0.62) GFERCASP6MAPTKMT2AMEN1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417184-B1 COMPOSITION FOR DYEING KERATINOUS FIBRES CONTAINING A PARAPHENYLENEDIAMINE SUBSTITUTED BY A DIAZACYCLOHEPTANE RADICAL OREAL (FR) 2007-08-29 EP claimed
US-7241317-B2 Composition for dyeing keratin fibers comprising at least one para-phenylenediamine substituted with a diazacycloheptane radical L'OREAL, S.A. (FR) 2007-07-10 US claimed
US-20050102769-A1 Composition for dyeing keratinous fibers containing a paraphenylenediamine substituted by a diazacycloheptane radical L'OREAL S.A. (FR) 2005-05-19 US claimed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 EP disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
EP-1417184-B1 COMPOSITION FOR DYEING KERATINOUS FIBRES CONTAINING A PARAPHENYLENEDIAMINE SUBSTITUTED BY A DIAZACYCLOHEPTANE RADICAL OREAL (FR) 2007-08-29 EP disclosed
EP-1417184-B1 COMPOSITION FOR DYEING KERATINOUS FIBRES CONTAINING A PARAPHENYLENEDIAMINE SUBSTITUTED BY A DIAZACYCLOHEPTANE RADICAL OREAL (FR) 2007-08-29 EP disclosed
US-7241317-B2 Composition for dyeing keratin fibers comprising at least one para-phenylenediamine substituted with a diazacycloheptane radical L'OREAL, S.A. (FR) 2007-07-10 US disclosed
US-7241317-B2 Composition for dyeing keratin fibers comprising at least one para-phenylenediamine substituted with a diazacycloheptane radical L'OREAL, S.A. (FR) 2007-07-10 US disclosed
US-7241317-B2 Composition for dyeing keratin fibers comprising at least one para-phenylenediamine substituted with a diazacycloheptane radical L'OREAL, S.A. (FR) 2007-07-10 US disclosed
US-20050102769-A1 Composition for dyeing keratinous fibers containing a paraphenylenediamine substituted by a diazacycloheptane radical L'OREAL S.A. (FR) 2005-05-19 US disclosed
EP-1417184-A1 COMPOSITION FOR DYEING KERATINOUS FIBRES CONTAINING A PARAPHENYLENEDIAMINE SUBSTITUTED BY A DIAZACYCLOHEPTANE RADICAL L'OREAL (FR) 2004-05-12 EP disclosed
WO-2003014093-A1 COMPOSITION FOR DYEING KERATINOUS FIBRES CONTAINING A PARAPHENYLENEDIAMINE SUBSTITUTED BY A DIAZACYCLOHEPTANE RADICAL L'OREAL (FR) 2003-02-20 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 (5 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-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK GFER 3828/4885CASP6 3379/4885MAPT 470/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 GFER 1309/4885CASP6 3944/4885MAPT 1986/4885
US-20050102769-A1 Composition for dyeing keratinous fibers containing a paraphenylenediamine substituted by a diazacycloheptane radical KRT18, HPD, PPOX GFER 1097/4885CASP6 2100/4885MAPT 2115/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK GFER 3792/4885CASP6 3264/4885MAPT 438/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK GFER 3792/4885CASP6 3264/4885MAPT 438/4885

“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.