SCHEMBL4699308

SCHEMBL4699308

CNC1CCN(c2nccs2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 1/20 0.46
DRD2 P14416 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HPGDS O60760 1/20 0.45
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
MEN1 O00255 1/20 0.43
GRM5 P41594 1/20 0.43
GRM1 Q13255 1/20 0.43
HRH4 Q9H3N8 3/20 0.41
CHI3L1 P36222 2/20 0.41
CYP3A4 P08684 1/20 0.41
CHIT1 Q13231 1/20 0.40
CHI3L2 Q15782 1/20 0.40
CHIA Q9BZP6 1/20 0.40

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
SCHEMBL21916652 0.84 HPGD (0.54) HPGDHSD17B10HTTNPC1RAB9A
SCHEMBL3060177 0.82 HPGD (0.51) HPGDHSD17B10HTTNPC1RAB9A
SCHEMBL19080603 0.82 HPGD (0.44) HPGDHSD17B10HTTNPC1RAB9A
SCHEMBL25090986 0.81 HPGD (0.51) HPGDHSD17B10HTTNPC1RAB9A
SCHEMBL972304 0.81 HPGD (0.51) HPGDHTTHRH4ROCK2ROCK1
SCHEMBL29102030 0.79
SCHEMBL20243707 0.79 HPGD (0.51) HPGDHSD17B10HTTNPC1RAB9A
SCHEMBL28153054 0.79 HSD17B10 (0.54) HPGDHSD17B10HTTNPC1RAB9A
SCHEMBL2036931 0.79 HPGD (0.55) HPGDHSD17B10HTTNPC1RAB9A
SCHEMBL12988889 0.78 HRH3 (0.51) HPGDHSD17B10HTTNPC1RAB9A

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-11566001-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-8318774-B2 N-(3-((thiazol-2-yl)amino)propyl)-3-phenylpropiolamide, 4-(thiazol-2-yl-amino)-1-(3-phenyl-propiolyl)piperidine, for example; for preventing or treating a disorder or disease that is mediated at least in part by mGluR26 receptors, such as pain, migraines, depression, neurodegenerative diseases GRUENENTHAL GMBH (DE) 2012-11-27 US disclosed
US-20080269295-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2008-10-30 US disclosed
EP-1968958-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079961-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 (2 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-11566001-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP HPGD 2439/4885HSD17B10 820/4885HTT 2894/4885
US-20080269295-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS TPMT, ABCB1, FDPS HPGD 804/4885HSD17B10 532/4885HTT 171/4885

“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.