SCHEMBL15037640

SCHEMBL15037640

C[N+](C)(C)CCNCCN1CCCc2ccc(N)cc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.39
CYP3A4 P08684 3/20 0.39
BRD4 O60885 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NOS3 P29474 3/20 0.36
NOS1 P29475 3/20 0.36
NOS2 P35228 2/20 0.36
TRPV1 Q8NER1 1/20 0.35
RORC P51449 4/20 0.35
HRH3 Q9Y5N1 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL15037711 0.93 REN (0.38) RENCYP3A4BRD4ATAD2KMT2A
SCHEMBL12334274 0.93 NOS1 (0.41) RENCYP3A4BRD4ATAD2KMT2A
SCHEMBL15037580 0.87 BRD4 (0.43) RENCYP3A4BRD4ATAD2KMT2A
SCHEMBL12334281 0.85 NOS1 (0.39) RENCYP3A4BRD4ATAD2KMT2A
SCHEMBL20144797 0.85 BRD4 (0.42) RENCYP3A4BRD4ATAD2KMT2A
Hydrochloric Acid SCHEMBL16267293 0.85 KMT2A (0.43) RENCYP3A4BRD4ATAD2KMT2A
SCHEMBL15038010 0.84 KDM1A (0.41) RENCYP3A4BRD4ATAD2KMT2A
SCHEMBL15038009 0.84 HRH3 (0.44) RENCYP3A4BRD4ATAD2KMT2A
SCHEMBL15037991 0.83 ALDH1A1 (0.40) RENCYP3A4BRD4ATAD2KMT2A
SCHEMBL15038011 0.82 HRH3 (0.46) RENCYP3A4BRD4ATAD2KMT2A

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 REN 409/4885CYP3A4 2623/4885BRD4 381/4885

“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.