SCHEMBL1364646

SCHEMBL1364646

Cc1cc(COc2ccc(N)cc2)c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 9/20 0.60
MMP13 P45452 1/20 0.60
OPRL1 P41146 1/20 0.54
MMP2 P08253 2/20 0.54
MMP3 P08254 1/20 0.52
MMP7 P09237 1/20 0.52
MMP12 P39900 1/20 0.52
NCF1 P14598 1/20 0.51

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
Hydrochloric Acid SCHEMBL2176855 0.99 ADAM17 (0.59) ADAM17MMP13OPRL1MMP2MMP3
Hydrochloric Acid SCHEMBL2172680 0.99 ADAM17 (0.59) ADAM17MMP13OPRL1MMP2MMP3
SCHEMBL6632245 0.90 ADAM17 (0.63) ADAM17MMP13MMP2MMP3MMP7
SCHEMBL8353322 0.88 ADAM17 (0.62) ADAM17MMP13MMP2MMP3MMP7
SCHEMBL5887602 0.87 ADAM17 (0.61) ADAM17MMP13MMP2MMP3MMP7
SCHEMBL5887895 0.87 ADAM17 (0.61) ADAM17MMP13MMP2MMP3MMP7
SCHEMBL5887571 0.86 ADAM17 (0.58) ADAM17MMP13OPRL1MMP2MMP3
SCHEMBL2528433 0.86 NPC1 (0.51) ADAM17MMP13OPRL1NCF1
SCHEMBL4053178 0.86 ADAM17 (0.60) ADAM17MMP13MMP2MMP3MMP7
SCHEMBL1366484 0.86 ADAM17 (0.60) ADAM17MMP13MMP2MMP3MMP7

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 65 patents — showing the first 20. 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
US-9440958-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2016-09-13 US disclosed
US-9440958-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2016-09-13 US disclosed
US-9440958-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2016-09-13 US disclosed
US-9403775-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2016-08-02 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-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
WO-2004096139-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2004-11-11 WO disclosed
US-20040209874-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) SHEPPECK JAMES E (US) 2004-10-21 US disclosed
EP-1397137-A4 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP disclosed
WO-2004024715-A1 SULPHONAMIDE DERIVATIVES AND THEIR USE AS TACE INHIBITORS ASTRAZENECA AB (SE) 2004-03-25 WO disclosed
EP-1397137-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-17 EP disclosed
US-20030139597-A1 Novel Cyclic hydroxamic acid as metalloproteinase inhibitors XUE CHU-BIAO (US) 2003-07-24 US disclosed
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-10 US disclosed
WO-2002096426-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO disclosed
US-6429213-B1 ANTIINFLAMMATORY AGENTS, ANTIARTHRITIS AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-06 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 (7 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-20040209874-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 ADAM17 1/4885MMP13 10/4885OPRL1 3264/4885
US-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases MMP9, MMP3, MMP12 ADAM17 22/4885MMP13 18/4885OPRL1 2909/4885
US-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 ADAM17 22/4885MMP13 18/4885OPRL1 2909/4885
US-20030139597-A1 Novel Cyclic hydroxamic acid as metalloproteinase inhibitors MMP9, MMP2, MMP25 ADAM17 24/4885MMP13 4/4885OPRL1 2904/4885
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 ADAM17 128/4885MMP13 5/4885OPRL1 1152/4885
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 ADAM17 22/4885MMP13 18/4885OPRL1 2909/4885
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 ADAM17 1/4885MMP13 10/4885OPRL1 3264/4885

“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.