SCHEMBL15037990

SCHEMBL15037990

CCN(CC)CCN1CCCc2ccc(N)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 3/20 0.47
▸ NOS1 P29475 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ BRD4 O60885 1/20 0.41
▸ ATAD2 Q6PL18 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.39
▸ REN P00797 8/20 0.39
▸ CYP3A4 P08684 4/20 0.39
▸ KCNH2 Q12809 2/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL20144727 0.91 ALDH1A1 (0.46) NOS3NOS1ALDH1A1KMT2AMEN1
SCHEMBL2675872 0.89 NOS3 (0.54) NOS3NOS1ALDH1A1KMT2AMEN1
SCHEMBL2674785 0.86 ALDH1A1 (0.52) NOS3NOS1ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL20136159 0.85 ALDH1A1 (0.51) NOS3NOS1ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL16335439 0.85 ALDH1A1 (0.51) NOS3NOS1ALDH1A1KMT2AMEN1
SCHEMBL16274465 0.84 KMT2A (0.60) ALDH1A1KMT2AMEN1BRD4ATAD2
SCHEMBL12333943 0.83 ALDH1A1 (0.50) NOS3NOS1ALDH1A1KMT2AMEN1
SCHEMBL4428784 0.83 BRD4 (0.40) NOS3NOS1ALDH1A1KMT2AMEN1
SCHEMBL14827765 0.82 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1BRD4ATAD2
SCHEMBL6683534 0.81 HRH3 (0.51) ALDH1A1KMT2AMEN1BRD4ATAD2

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
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-9107848-B2 Coupler with cationic 7-amino-1,2,3,4-tetrahydroquinoline structure, dyeing composition comprising same, processes and uses L'OREAL (FR) 2015-08-18 — — 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
US-20140352713-A1 COUPLER WITH CATIONIC 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE STRUCTURE, DYEING COMPOSITION COMPRISING SAME, PROCESSES AND USES L'OREAL (FR) 2014-12-04 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20150000691-A1 COUPLER WITH 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE STRUCTURE, DYEING COMPOSITION COMPRISING SAME, PROCESSES AND USES KRT18, COL1A1, PYCR1 NOS3 2545/4885NOS1 1810/4885ALDH1A1 186/4885
US-20140352713-A1 COUPLER WITH CATIONIC 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE STRUCTURE, DYEING COMPOSITION COMPRISING SAME, PROCESSES AND USES KRT18, PRMT7, ARGLU1 NOS3 1247/4885NOS1 708/4885ALDH1A1 157/4885

“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.

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