SCHEMBL1021287

SCHEMBL1021287

Cc1cc(COc2ccc(C3(N)CCN(C(CC(C)C)C(=O)NO)C3=O)cc2)c2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 15/20 1.00
MMP3 P08254 7/20 1.00
MMP2 P08253 7/20 1.00
MMP9 P14780 7/20 1.00
MMP1 P03956 6/20 1.00
MMP7 P09237 4/20 1.00
MMP8 P22894 4/20 1.00
MMP13 P45452 4/20 1.00
MMP14 P50281 4/20 1.00
ADAM10 O14672 4/20 1.00
ADAM33 Q9BZ11 2/20 0.68
MMP15 P51511 1/20 0.68
MMP16 P51512 1/20 0.68

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
SCHEMBL29732231 1.00 ADAM17 (1.00) ADAM17MMP3MMP2MMP9MMP1
SCHEMBL6350415 1.00 ADAM17 (1.00) ADAM17MMP3MMP2MMP9MMP1
SCHEMBL6350418 1.00 ADAM17 (1.00) ADAM17MMP3MMP2MMP9MMP1
SCHEMBL6681213 0.93 ADAM17 (0.86) ADAM17MMP3MMP2MMP9MMP1
SCHEMBL6681788 0.91 ADAM17 (0.84) ADAM17MMP3MMP2MMP9MMP1
SCHEMBL6685255 0.91 ADAM17 (0.84) ADAM17MMP3MMP2MMP9MMP1
SCHEMBL4193352 0.90 ADAM17 (1.00) ADAM17MMP3MMP2MMP9MMP1
SCHEMBL8282217 0.90 ADAM17 (1.00) ADAM17MMP3MMP2MMP9MMP1
SCHEMBL8354979 0.90 ADAM17 (0.82) ADAM17MMP3MMP2MMP9MMP1
SCHEMBL4207403 0.90 ADAM17 (0.82) ADAM17MMP3MMP2MMP9MMP1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247257-A1 Combination ASTRAZENECA AB (SE) 2006-11-02 US claimed
EP-1596847-A1 NEW COMBINATION AstraZeneca AB (SE) 2005-11-23 EP claimed
WO-2004073704-A1 NEW COMBINATION ASTRAZENECA AB (SE) 2004-09-02 WO claimed
EP-3174877-B1 INDOLIZINE DERIVATIVES WHICH ARE APPLICABLE TO NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2022-06-29 EP disclosed
US-10676433-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2020-06-09 US disclosed
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2019-06-18 US disclosed
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2019-05-30 US disclosed
US-9931324-B2 Indolizine derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2018-04-03 US disclosed
US-20170079965-A1 NOVEL INDOLIZINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2017-03-23 US disclosed
US-9546166-B2 Indolizine derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2017-01-17 US disclosed
US-20160296509-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-10-13 US disclosed
EP-2243772-A1 Novel P2X7R antagonists and their use Affectis Pharmaceuticals AG (DE) 2010-10-27 EP disclosed
WO-2010118921-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2010-10-21 WO disclosed
US-20100267762-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2010-10-21 US disclosed
US-20090312366-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2009-12-17 US disclosed
WO-2009118175-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2009-10-01 WO disclosed
EP-2105164-A1 Novel P2X7R antagonists and their use Affectis Pharmaceuticals AG (DE) 2009-09-30 EP disclosed
US-20060247257-A1 Combination ASTRAZENECA AB (SE) 2006-11-02 US disclosed
EP-1596847-A1 NEW COMBINATION AstraZeneca AB (SE) 2005-11-23 EP disclosed
WO-2004073704-A1 NEW COMBINATION ASTRAZENECA AB (SE) 2004-09-02 WO 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 (8 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-10323000-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 ADAM17 3509/4885MMP3 3319/4885MMP2 4157/4885
US-20160296509-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX7, P2RX3, P2RX1 ADAM17 3792/4885MMP3 4529/4885MMP2 4712/4885
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 ADAM17 3322/4885MMP3 3409/4885MMP2 4288/4885
US-20170079965-A1 NOVEL INDOLIZINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX5, P2RX4, P2RX3 ADAM17 3192/4885MMP3 3427/4885MMP2 4308/4885
US-10676433-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 ADAM17 3509/4885MMP3 3319/4885MMP2 4157/4885
US-20060247257-A1 Combination P2RX7, PCSK9, P2RX1 ADAM17 22/4885MMP3 438/4885MMP2 384/4885
US-20100267762-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE P2RX3, P2RX2, P2RX1 ADAM17 3661/4885MMP3 4048/4885MMP2 4496/4885
US-20090312366-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE P2RX3, P2RX7, P2RX2 ADAM17 3214/4885MMP3 3727/4885MMP2 4185/4885

“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.