SCHEMBL1364579

SCHEMBL1364579

CCn1cnc2ccc(N3CCN(C(=O)[C@@H]4[C@@H](C(=O)NO)CC5(CC5C5CCOCC5)CN4C(=O)O)CC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 13/20 0.44
MMP2 P08253 13/20 0.44
MMP9 P14780 6/20 0.44
MMP3 P08254 2/20 0.44
ERBB2 P04626 9/20 0.40
ENPP2 Q13822 2/20 0.36
MMP1 P03956 1/20 0.35
MMP7 P09237 1/20 0.35
MMP8 P22894 1/20 0.35
MMP12 P39900 1/20 0.35
MMP14 P50281 1/20 0.35
ADAM17 P78536 1/20 0.35
ADAM9 Q13443 1/20 0.35
ADAM33 Q9BZ11 1/20 0.35
PTGDR Q13258 1/20 0.34
CDK9 P50750 4/20 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
SCHEMBL1366554 0.89 ADAM10 (0.40) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL1363713 0.89 ADAM10 (0.40) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL1367331 0.89 ADAM10 (0.42) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL17743487 0.85 ADAM10 (0.53) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL4323738 0.85 ADAM10 (0.53) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL1364256 0.83 ADAM10 (0.61) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL1364457 0.83 ADAM10 (0.61) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL1365232 0.81 ADAM10 (0.68) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL1364575 0.81 ADAM10 (0.68) ADAM10MMP2MMP9MMP3ERBB2
SCHEMBL1364063 0.80 ADAM10 (0.59) 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 6 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
US-20140187530-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION (US) 2014-07-03 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-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.