SCHEMBL1365550

SCHEMBL1365550

Cn1ncc2ccc(C3CC[N]CC3)cc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.46
PDE1C Q14123 1/20 0.44
PTGER3 P43115 1/20 0.40
LRRK2 Q5S007 1/20 0.40
NOTUM Q6P988 1/20 0.40
HTR1D P28221 2/20 0.38
SCD5 Q86SK9 1/20 0.38
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
CDK8 P49336 1/20 0.36
FASN P49327 1/20 0.36
PFKFB3 Q16875 1/20 0.36
CYP11B2 P19099 1/20 0.36
TRPA1 O75762 1/20 0.35
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL29855932 0.91 HDAC4 (0.49) HDAC4PDE1CPTGER3LRRK2NOTUM
SCHEMBL1365601 0.88 PDE1C (0.44) HDAC4PDE1CPTGER3TRPA1PDE4B
SCHEMBL29341275 0.84 PDE1C (0.46) HDAC4PDE1CPTGER3LRRK2NOTUM
Hydrochloric Acid SCHEMBL30567960 0.79 PDE1C (0.47) HDAC4PDE1CPTGER3LRRK2NOTUM
Hydrochloric Acid SCHEMBL21382155 0.79 PDE1C (0.47) HDAC4PDE1CPTGER3LRRK2NOTUM
SCHEMBL29769081 0.78 PDE1C (0.48) HDAC4PDE1CPTGER3TRPA1PDE4B
SCHEMBL5584813 0.77 HTR1D (0.44) HTR1DDRD2SLC6A4
SCHEMBL21384715 0.74 SCD5 (0.54) HDAC4PDE1CPTGER3NOTUMSCD5
SCHEMBL31282312 0.74 TLR9 (0.43) HDAC4PDE1CDRD2SLC6A4
SCHEMBL15317630 0.73 QDPR (0.50) HDAC4PDE1CPTGER3DRD2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9801877-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2017-10-31 US disclosed
EP-1622569-B1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2015-12-02 EP disclosed
US-8637497-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2014-01-28 US disclosed
US-20110288068-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION 2011-11-24 US disclosed
US-8039471-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2011-10-18 US disclosed
US-7723349-B2 N-hydroxy-5-methyl-6-{[4-(3-methylphenyl)piperazin-1-yl]carbonyl}-5-azaspiro[2.5]octane-7-carboxamide for example; treating arthritis, cancer, cardiovascular disorders, skin disorders, inflammation and allergic conditions INCYTE CORPORATION (US) 2010-05-25 US disclosed
US-20090124649-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2009-05-14 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 (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-20110288068-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES MMP9, MMP3, MMP12 HDAC4 362/4885PDE1C 2025/4885PTGER3 423/4885
US-20090124649-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES MMP9, MMP3, MMP12 HDAC4 362/4885PDE1C 2025/4885PTGER3 423/4885

“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.