SCHEMBL15037985

SCHEMBL15037985

CN1CCN(CCCNCCN2CCCc3ccc(N)cc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
REN P00797 6/20 0.38
CYP3A4 P08684 4/20 0.38
NOS3 P29474 4/20 0.38
NOS1 P29475 4/20 0.38
DRD2 P14416 2/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
KDM1A O60341 1/20 0.37
BRD4 O60885 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
NOS2 P35228 2/20 0.37
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 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
SCHEMBL15038010 0.94 KDM1A (0.41) HRH3RENCYP3A4NOS3NOS1
SCHEMBL15037984 0.93 HRH3 (0.46) HRH3RENCYP3A4NOS3NOS1
SCHEMBL15037987 0.92 HRH3 (0.48) HRH3RENCYP3A4NOS3NOS1
SCHEMBL15037578 0.89 HRH3 (0.40) HRH3RENCYP3A4NOS3NOS1
SCHEMBL15037980 0.89 KDM1A (0.43) HRH3CYP3A4DRD2DRD4DRD3
SCHEMBL15038009 0.87 HRH3 (0.44) HRH3RENCYP3A4NOS3NOS1
SCHEMBL12333949 0.87 NOS1 (0.43) CYP3A4NOS3NOS1DRD2HTR1A
SCHEMBL20144775 0.86 KDM1A (0.41) HRH3CYP3A4KDM1AMAPTLMNA
SCHEMBL15038011 0.85 HRH3 (0.46) HRH3RENCYP3A4NOS3NOS1
SCHEMBL15037993 0.85 HRH3 (0.43) HRH3RENCYP3A4DRD2HTR1A

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 HRH3 176/4885REN 330/4885CYP3A4 1239/4885
US-20140352713-A1 COUPLER WITH CATIONIC 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE STRUCTURE, DYEING COMPOSITION COMPRISING SAME, PROCESSES AND USES KRT18, PRMT7, ARGLU1 HRH3 29/4885REN 409/4885CYP3A4 2623/4885

“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.