SCHEMBL1363987

SCHEMBL1363987

CC(C)(C)C1CC12CN[C@H](C(=O)N1CCN(c3ccccc3)CC1)[C@@H](C(=O)O)C2

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 12/20 0.57
MMP2 P08253 9/20 0.57
ERBB2 P04626 7/20 0.57
MMP9 P14780 4/20 0.57
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
KMT2A Q03164 1/20 0.41
TFPI2 P48307 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 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
SCHEMBL1363708 0.85 ADAM10 (0.56) ADAM10MMP2ERBB2MMP9ALDH1A1
SCHEMBL1364987 0.82 ADAM10 (0.52) ADAM10MMP2ERBB2MMP9ALDH1A1
SCHEMBL1363865 0.80 ADAM10 (0.80) ADAM10MMP2ERBB2MMP9SIGMAR1
SCHEMBL1366628 0.80 ADAM10 (0.44) ADAM10MMP2ERBB2MMP9ALDH1A1
SCHEMBL1365773 0.77 ADAM10 (0.59) ADAM10MMP2ERBB2MMP9ALDH1A1
SCHEMBL1367112 0.77 ADAM10 (0.51) ADAM10MMP2ERBB2MMP9ALDH1A1
SCHEMBL1366030 0.76 HRH3 (0.47) ADAM10MMP2ERBB2MMP9
SCHEMBL5038490 0.75 ADAM10 (0.64) ADAM10MMP2ERBB2MMP9
SCHEMBL1365862 0.74 ADAM10 (0.44) ADAM10MMP2ERBB2MMP9CTSS
SCHEMBL1363985 0.73 ADAM10 (0.68) ADAM10MMP2ERBB2MMP9

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 23/4885ERBB2 2841/4885
US-20140187530-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 ADAM10 29/4885MMP2 23/4885ERBB2 2841/4885
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 41/4885ERBB2 2369/4885

“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.