SCHEMBL628697

SCHEMBL628697

Nc1ccc(CN(Cc2ccc(N)cc2)C2CCOC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GFER P55789 1/20 0.33
CYP3A4 P08684 1/20 0.33
HDAC1 Q13547 1/20 0.33
ELOVL1 Q9BW60 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A2 P23975 2/20 0.31

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
SCHEMBL628696 1.00 MAPT (0.34) MAPTTDP1TSHRALDH1A1GFER
SCHEMBL14691765 0.83 KDM4E (0.46) TDP1TSHRALDH1A1HDAC1KDM4E
SCHEMBL5209421 0.81 LTA4H (0.42) MAPTTDP1TSHRALDH1A1GFER
SCHEMBL7852342 0.77 HDAC3 (0.33) MAPTHDAC1KMT2ASLC6A2SLC6A4
SCHEMBL629024 0.77 KCNJ1 (0.43) MAPTTSHRALDH1A1KDM4ELOXL2
SCHEMBL629023 0.77 KCNJ1 (0.43) MAPTTSHRALDH1A1KDM4ELOXL2
SCHEMBL628642 0.77 CYP2D6 (0.46) MAPTTDP1TSHRALDH1A1GFER
SCHEMBL313877 0.77 HRH3 (0.51) MAPTALDH1A1HDAC1RAB9ALMNA
Hydrochloric Acid SCHEMBL6340964 0.75 HRH3 (0.50) MAPTALDH1A1HDAC1RAB9ALMNA
Hydrochloric Acid SCHEMBL7221627 0.75 HRH3 (0.50) MAPTALDH1A1HDAC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MAPT 2833/4885TDP1 3922/4885TSHR 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.