SCHEMBL1365601

SCHEMBL1365601

Cn1ncc2cc(C3CC[N]CC3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 4/20 0.44
HDAC4 P56524 3/20 0.42
KDM1A O60341 4/20 0.41
PTGER3 P43115 1/20 0.40
CREBBP Q92793 2/20 0.40
BRD4 O60885 1/20 0.40
CTNNB1 P35222 1/20 0.39
TCF7 P36402 1/20 0.39
TRPA1 O75762 1/20 0.38
FAAH O00519 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
APP P05067 1/20 0.38
PDE2A O00408 1/20 0.38
PDE5A O76074 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL29769081 0.91 PDE1C (0.48) PDE1CHDAC4KDM1APTGER3CREBBP
SCHEMBL1365550 0.88 HDAC4 (0.46) PDE1CHDAC4PTGER3TRPA1PDE4B
SCHEMBL15317630 0.85 QDPR (0.50) PDE1CHDAC4KDM1APTGER3CREBBP
Hydrochloric Acid SCHEMBL30567988 0.82 PDE1C (0.45) PDE1CHDAC4KDM1APTGER3PDE2A
Hydrochloric Acid SCHEMBL21381782 0.82 PDE1C (0.45) PDE1CHDAC4KDM1APTGER3PDE2A
SCHEMBL19868691 0.82 PDE1C (0.45) PDE1CHDAC4KDM1APTGER3CREBBP
SCHEMBL27306565 0.81 KDM1A (0.44) PDE1CHDAC4KDM1APTGER3CREBBP
SCHEMBL21876109 0.80 PDE1C (0.44) PDE1CHDAC4KDM1APTGER3CREBBP
SCHEMBL21876110 0.80 PDE1C (0.44) PDE1CHDAC4KDM1APTGER3CREBBP
SCHEMBL19868693 0.80 PDE1C (0.41) PDE1CHDAC4KDM1APTGER3CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases INCYTE HOLDINGS CORPORATION (US) 2019-03-12 US disclosed
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION 2018-06-07 US disclosed
US-9801877-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2017-10-31 US disclosed
US-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION 2017-02-09 US disclosed
EP-3020402-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Holdings Corporation (US) 2016-05-18 EP disclosed
EP-1622569-B1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2015-12-02 EP disclosed
US-20140187530-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION (US) 2014-07-03 US disclosed
US-8637497-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2014-01-28 US disclosed
EP-2617419-A1 Aza spiro alkane derivatives as inhibitors of metallproteases Incyte Corporation (US) 2013-07-24 EP 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 (6 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 PDE1C 2025/4885HDAC4 362/4885KDM1A 382/4885
US-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases MMP9, MMP3, MMP12 PDE1C 2025/4885HDAC4 362/4885KDM1A 382/4885
US-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 PDE1C 2025/4885HDAC4 362/4885KDM1A 382/4885
US-20090124649-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES MMP9, MMP3, MMP12 PDE1C 2025/4885HDAC4 362/4885KDM1A 382/4885
US-20140187530-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 PDE1C 2025/4885HDAC4 362/4885KDM1A 382/4885
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 PDE1C 2025/4885HDAC4 362/4885KDM1A 382/4885

“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.