SCHEMBL4422995

SCHEMBL4422995

Nc1ccc2c(c1)N(CCN1CCOCC1)CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
ATAD2 Q6PL18 1/20 0.42
HPGD P15428 2/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CD274 Q9NZQ7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
REN P00797 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL13907128 0.92 ALOX15 (0.44) HPGDALOX15HTTHRH3MAPT
SCHEMBL15038014 0.90 KDM1A (0.42) BRD4ATAD2HPGDALOX15HTT
SCHEMBL15037988 0.90 HRH3 (0.48) BRD4ATAD2ALOX15HRH3ALDH1A1
SCHEMBL20144740 0.89 GAA (0.39) BRD4ATAD2HPGDALOX15HTT
SCHEMBL2676068 0.89 GAA (0.43) HPGDHTTHRH3MAPTGAA
SCHEMBL15037989 0.89 HRH3 (0.50) BRD4ATAD2HRH3ALDH1A1MEN1
SCHEMBL15037982 0.88 HRH3 (0.47) BRD4ATAD2HRH3ALDH1A1MAPK1
SCHEMBL15037993 0.87 HRH3 (0.43) BRD4ATAD2HRH3MAPTALDH1A1
SCHEMBL15037980 0.87 KDM1A (0.43) BRD4ATAD2HPGDALOX15HTT
Hydrochloric Acid SCHEMBL15016566 0.86 KMT2A (0.44) BRD4ATAD2HRH3MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791116-B1 COUPLER WITH 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE STRUCTURE, DYEING COMPOSITION COMPRISING SAME, PROCESSES AND USES OREAL (FR) 2018-05-16 EP claimed
EP-2791116-B1 COUPLER WITH 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE STRUCTURE, DYEING COMPOSITION COMPRISING SAME, PROCESSES AND USES OREAL (FR) 2018-05-16 EP disclosed
EP-2791116-B1 COUPLER WITH 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE STRUCTURE, DYEING COMPOSITION COMPRISING SAME, PROCESSES AND USES OREAL (FR) 2018-05-16 EP disclosed
US-9233060-B2 Coupler with 7-amino-1,2,3,4-tetrahydroquinoline structure, dyeing composition comprising same, processes and uses L'OREAL (FR) 2016-01-12 US disclosed
US-9233060-B2 Coupler with 7-amino-1,2,3,4-tetrahydroquinoline structure, dyeing composition comprising same, processes and uses L'OREAL (FR) 2016-01-12 US disclosed
US-20150000691-A1 COUPLER WITH 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE STRUCTURE, DYEING COMPOSITION COMPRISING SAME, PROCESSES AND USES L'OREAL (FR) 2015-01-01 US disclosed
US-20150000691-A1 COUPLER WITH 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE STRUCTURE, DYEING COMPOSITION COMPRISING SAME, PROCESSES AND USES L'OREAL (FR) 2015-01-01 US disclosed
WO-2013087932-A1 COUPLER WITH 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE STRUCTURE, DYEING COMPOSITION COMPRISING SAME, PROCESSES AND USES L'OREAL (FR) 2013-06-20 WO disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives NEUROGEN CORPORATION (US) 2007-05-10 US disclosed
US-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives NEUROGEN CORPORATION (US) 2007-05-10 US disclosed
US-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives NEUROGEN CORPORATION (US) 2007-05-10 US disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 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 (3 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-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives PIGS, HRH4, GPR35 BRD4 211/4885ATAD2 2115/4885HPGD 1505/4885
US-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 BRD4 3288/4885ATAD2 3210/4885HPGD 1354/4885
US-20150000691-A1 COUPLER WITH 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE STRUCTURE, DYEING COMPOSITION COMPRISING SAME, PROCESSES AND USES KRT18, COL1A1, PYCR1 BRD4 545/4885ATAD2 1729/4885HPGD 1875/4885

“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.