SCHEMBL4537261

SCHEMBL4537261

CN1CC2(CC2)C[C@H](C(=O)NO)[C@H]1C(=O)C1CC(c2ccccc2)=CCN1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 20/20 0.60
MMP2 P08253 18/20 0.60
ERBB2 P04626 8/20 0.60
MMP9 P14780 14/20 0.50
MMP3 P08254 7/20 0.49
MMP12 P39900 2/20 0.49
MMP14 P50281 2/20 0.49
ADAM17 P78536 2/20 0.49
ADAM33 Q9BZ11 2/20 0.49
ADAM8 P78325 1/20 0.49
MMP1 P03956 4/20 0.47
MMP7 P09237 1/20 0.40
MMP8 P22894 1/20 0.40
ADAM9 Q13443 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
SCHEMBL4530938 1.00 ADAM10 (0.60) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL5038314 0.91 ADAM10 (0.52) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL5039536 0.91 ADAM10 (0.52) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL6022178 0.90 ADAM10 (0.51) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL4536939 0.90 ADAM10 (0.51) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL6022479 0.89 ADAM10 (0.54) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL5044826 0.89 ADAM10 (0.54) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL5045222 0.89 ADAM10 (0.63) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL17743482 0.88 ADAM10 (0.49) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL5035094 0.88 ADAM10 (0.49) ADAM10MMP2ERBB2MMP9MMP3

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
EP-1622569-A4 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2008-08-27 EP claimed
EP-1622569-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Corporation (US) 2006-02-08 EP claimed
WO-2004096139-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2004-11-11 WO claimed
EP-2637679-A1 ROLE OF ADAM10 AND ITS RELEVANCE TO DISEASE AND THERAPEUTICS The University of Chicago (US) 2013-09-18 EP disclosed
WO-2012064865-A1 ROLE OF ADAM10 AND ITS RELEVANCE TO DISEASE AND THERAPEUTICS THE UNIVERSITY OF CHICAGO (US) 2012-05-18 WO disclosed
EP-1962863-A2 ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 Conforma Therapeutics Corporation (US) 2008-09-03 EP disclosed
WO-2007075572-A2 ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-05 WO disclosed
US-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-06-07 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 (1 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-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 HSP90AB1, HSP90AA1, HSP90AB2P ADAM10 4682/4885MMP2 3754/4885ERBB2 1609/4885

“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.