SCHEMBL17102000

SCHEMBL17102000

COc1ccccc1C(C)(C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 3/20 0.48
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA4 P22748 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL21034080 0.85 KMT2A (0.47) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL12260657 0.84 ATM (0.46) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL18493202 0.83 KMT2A (0.50) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL6404528 0.83 KMT2A (0.51) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL27471238 0.83 GAA (0.49) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL420634 0.83 KMT2A (0.51) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL12585668 0.81 CTNNB1 (0.47) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL11023514 0.81 KMT2A (0.47) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL4682656 0.81 TDP1 (0.41) KMT2AMEN1ALDH1A1GAAATM
SCHEMBL30628227 0.79 KMT2A (0.48) KMT2AMEN1ALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106103439-B 2,7- diaza spiro [3.5] nonane compound 瑞敏德股份有限公司 2019-03-08 CN disclosed
EP-3119782-B1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS REMYND NV (BE) 2018-01-31 EP disclosed
US-9750745-B2 2,7-diazaspiro[3.5]nonane compounds REMYND NV (BE) 2017-09-05 US disclosed
US-20170157137-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS REMYND NV (BE) 2017-06-08 US disclosed
EP-1368295-B1 PROCESS FOR THE MANUFACTURE OF PHENYLACETIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-04-12 EP disclosed
US-9617264-B2 2,7-diazaspiro[3.5]nonane compounds REMYND NV (BE) 2017-04-11 US disclosed
EP-3119782-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS reMynd NV (BE) 2017-01-25 EP disclosed
US-20170015665-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS REMYND NV (BE) 2017-01-19 US disclosed
CN-106103439-A 2,7 diaza spiros [3.5] nonane compound 瑞敏德股份有限公司 2016-11-09 CN disclosed
WO-2015140132-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS REMYND NV (BE) 2015-09-24 WO disclosed
CN-101868457-A (3-hydroxy-4-amino-but-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for use in therapy COMENTIS INC 2010-10-20 CN disclosed
CN-101821238-A Suppress the active isophthaloyl sulfonamide derivatives of beta-secretase (BETA-SECRETASE) COMENTIS INC 2010-09-01 CN disclosed
CN-100450994-C Adamantyl acetamides as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-01-14 CN disclosed
CN-1915964-A Adamantyl acetamides as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2007-02-21 CN disclosed
CN-1809573-A Tricyclic indole derivatives and their use in the treatment of alzheimer's disease GLAXO GROUP LTD (GB) 2006-07-26 CN disclosed
CN-1250528-C Cyclic nitrones and pharmaceutical compositions containing them AWENTIS PHARMACEUTICAL INC (US) 2006-04-12 CN disclosed
CN-1729158-A Adamantyl acetamides as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2006-02-01 CN disclosed
CN-1500787-A Cyclic nitrones and pharmaceutical compositions containing them ���µ�˹ҩ�﹫˾ 2004-06-02 CN disclosed
CN-1500779-A Cyclic nitrones and pharmaceutical compositions containing them ���µ�˹ҩ�﹫˾ 2004-06-02 CN disclosed
CN-1196050-A Cyclic nitrones and pharmaceutical compositions containing them HOECHST MARION ROUSSEL INC (US) 1998-10-14 CN 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 (2 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-20170157137-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS PSEN1, MAPT, PSEN2 KMT2A 4531/4885MEN1 1633/4885ALDH1A1 1771/4885
US-20170015665-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS PSEN1, MAPT, PSEN2 KMT2A 4531/4885MEN1 1633/4885ALDH1A1 1771/4885

“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.