SCHEMBL3403623

SCHEMBL3403623

CCCCN1CCCN(Cc2cn(CC)c(-c3cccc4ccccc34)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.41
CNR2 P34972 1/20 0.40
SLC2A1 P11166 2/20 0.39
HTR6 P50406 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
LMNA P02545 1/20 0.37
HRH3 Q9Y5N1 4/20 0.37
HTR2A P28223 2/20 0.37
HTR7 P34969 2/20 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
SCHEMBL3405131 0.97 TLR8 (0.43) TLR8CNR2SLC2A1HTR6SLC6A2
SCHEMBL3399762 0.86 KMT2A (0.45) TDP1LMNA
SCHEMBL3402431 0.81 CCND1 (0.40) SLC2A1LMNA
SCHEMBL3399827 0.81 SIGMAR1 (0.43) LMNAHRH3
SCHEMBL3404354 0.81 SIGMAR1 (0.46) LMNA
SCHEMBL3398731 0.81 LMNA (0.38) LMNA
SCHEMBL3402966 0.80 MEN1 (0.39) TLR8CNR2LMNA
SCHEMBL3404020 0.80 LMNA (0.38) TLR8LMNA
SCHEMBL3405179 0.80 LMNA (0.38) LMNA
SCHEMBL3396747 0.79 ALDH1A1 (0.40) HRH3

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-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 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-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues HRH3, HRH4, HRH2 TLR8 462/4885CNR2 24/4885SLC2A1 1827/4885

“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.