SCHEMBL8234366

SCHEMBL8234366

CN(c1nccs1)C1CCN(C(=O)c2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.50
ACHE P22303 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
HRH3 Q9Y5N1 6/20 0.45
SLC6A7 Q99884 1/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
KDM5A P29375 1/20 0.42
PROKR1 Q8TCW9 2/20 0.42
ATR Q13535 1/20 0.42
PDE2A O00408 1/20 0.41
PDE3A Q14432 1/20 0.41
BRAF P15056 1/20 0.41
PIK3R1 P27986 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL8242255 0.93 L3MBTL3 (0.50) VNN1ACHEL3MBTL3SLC6A7ABL1
SCHEMBL972416 0.83 AR (0.40) VNN1
SCHEMBL4701151 0.79 AR (0.43) VNN1
SCHEMBL8234256 0.78 PKM (0.45) SLC6A7ABL1BCRPROKR1PDE2A
SCHEMBL10293555 0.77 L3MBTL3 (0.69) ACHEL3MBTL3HRH3ATR
SCHEMBL10293598 0.77 L3MBTL3 (0.69) ACHEL3MBTL3HRH3ATR
SCHEMBL13326823 0.77 GPR119 (0.53)
SCHEMBL972277 0.77 GPR119 (0.53)
SCHEMBL973942 0.77 TRPM8 (0.43) PROKR1
SCHEMBL2131921 0.75 L3MBTL3 (0.56) VNN1ACHEL3MBTL3HRH3KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US disclosed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US disclosed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO disclosed
WO-2007079960-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 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-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS TPMT, SLC5A2, DPP4 VNN1 2507/4885ACHE 3042/4885L3MBTL3 4244/4885

“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.