SCHEMBL628642

SCHEMBL628642

Nc1ccc(CN(Cc2ccc(N)cc2)C2CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.46
CYP2C9 P11712 4/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 2/20 0.41
LTA4H P09960 3/20 0.40
GFER P55789 1/20 0.39
CYP2C19 P33261 3/20 0.39
MAPT P10636 1/20 0.39
EPHX1 P07099 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CYP1A2 P05177 2/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL3154343 0.81 KMT2A (0.55) ALDH1A1TDP1LTA4H
SCHEMBL3085764 0.79 HRH3 (0.74) CYP2D6HRH4HRH3ALDH1A1CYP3A4
SCHEMBL3373138 0.79 SLC6A2 (0.51) CYP2D6CYP2C9TSHRHSD17B10ALDH1A1
SCHEMBL7885548 0.78 G6PC1 (0.54) CYP2D6CYP2C9TSHRHSD17B10HRH4
SCHEMBL515999 0.78 G6PC1 (0.54) CYP2D6CYP2C9TSHRHSD17B10HRH4
SCHEMBL28410816 0.78 G6PC1 (0.54) CYP2D6CYP2C9TSHRHSD17B10HRH4
SCHEMBL13017781 0.77 SLC6A2 (0.53) CYP2D6CYP2C9TSHRHSD17B10ALDH1A1
SCHEMBL628696 0.77 MAPT (0.34) CYP2D6CYP2C9TSHRHRH4HRH3
SCHEMBL628697 0.77 MAPT (0.34) CYP2D6CYP2C9TSHRHRH4HRH3
SCHEMBL5209421 0.74 LTA4H (0.42) TSHRALDH1A1CYP3A4TDP1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019161381-A9 CHARGE-TAGGED NUCLEOTIDES AND METHODS OF USE THEREOF ILLUMINA, INC. (US) 2019-11-28 WO disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
EP-2419404-B1 ANTI-VIRAL COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
EP-2419404-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2012-02-22 EP disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US 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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP2D6 3539/4885CYP2C9 3780/4885TSHR 4834/4885

“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.