SCHEMBL15037705

SCHEMBL15037705

C[N+](C)(C)CCCOCCN1CCCc2ccc(N)cc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.42
REN P00797 7/20 0.41
CYP3A4 P08684 3/20 0.40
BRD4 O60885 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RORC P51449 4/20 0.34
KLKB1 P03952 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL12333816 0.85 HTR2A (0.36) HRH3RENCYP3A4BRD4ATAD2
SCHEMBL15037580 0.85 BRD4 (0.43) HRH3RENCYP3A4BRD4ATAD2
SCHEMBL15037979 0.85 HRH3 (0.51) HRH3RENCYP3A4BRD4ATAD2
SCHEMBL15037986 0.84 HRH3 (0.56) HRH3RENCYP3A4BRD4ATAD2
SCHEMBL13998593 0.84 HRH3 (0.46) HRH3RENCYP3A4BRD4ATAD2
SCHEMBL15037981 0.84 HRH3 (0.42) HRH3RENCYP3A4BRD4ATAD2
SCHEMBL15037983 0.83 HRH3 (0.58) HRH3REN
Hydrochloric Acid SCHEMBL16267293 0.83 KMT2A (0.43) HRH3RENCYP3A4BRD4ATAD2
SCHEMBL15037711 0.81 REN (0.38) HRH3RENCYP3A4BRD4ATAD2
SCHEMBL15037714 0.81 REN (0.37) HRH3RENCYP3A4BRD4ATAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-2013087931-A1 COUPLER WITH CATIONIC 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 (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-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.