SCHEMBL1366063

SCHEMBL1366063

Cc1cc(C#N)ccc1N1CCN(C(=O)[C@@H]2[C@@H](C(=O)NO)CC3(CC3)CN2C(=O)OC2CCOCC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 19/20 0.68
MMP2 P08253 14/20 0.68
MMP9 P14780 9/20 0.68
MMP3 P08254 5/20 0.68
ERBB2 P04626 5/20 0.45
MMP14 P50281 3/20 0.42
ADAM17 P78536 3/20 0.42
MMP12 P39900 2/20 0.42
ADAM33 Q9BZ11 2/20 0.42
ADAM8 P78325 1/20 0.42
MMP1 P03956 1/20 0.39
MMP7 P09237 1/20 0.39
MMP8 P22894 1/20 0.39
ADAM9 Q13443 1/20 0.39
SLC6A9 P48067 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
SCHEMBL1365296 1.00 ADAM10 (0.68) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL1366599 0.89 ADAM10 (0.57) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL1366092 0.89 ADAM10 (0.57) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL17288022 0.86 ADAM10 (0.52) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL4330622 0.86 ADAM10 (0.52) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL1364254 0.82 ADAM10 (1.00) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL1364454 0.82 ADAM10 (1.00) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL17288025 0.80 ADAM10 (0.47) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL1366065 0.79 ADAM10 (0.43) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL15121323 0.79 ADAM10 (0.43) ADAM10MMP2MMP9MMP3ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403775-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2016-08-02 US 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
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-20040259896-A1 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 2004-12-23 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 (3 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 ADAM10 29/4885MMP2 23/4885MMP9 1/4885
US-20140187530-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 ADAM10 29/4885MMP2 23/4885MMP9 1/4885
US-20040259896-A1 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 MMP9, MMP25, HDAC5 ADAM10 258/4885MMP2 41/4885MMP9 1/4885

“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.