SCHEMBL1106517

SCHEMBL1106517

CC(C)N1CCCOC1=O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.53
KDM4E B2RXH2 1/20 0.41
GRM2 Q14416 1/20 0.35
ALDH1A1 P00352 1/20 0.31
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
PER2 O15055 1/20 0.30
CRY2 Q49AN0 1/20 0.30

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
SCHEMBL10245854 0.94 PIK3CD (0.47) PIK3CDKDM4EGRM2ALDH1A1CA1
SCHEMBL1106523 0.86
SCHEMBL908022 0.79 PIK3CD (0.46) PIK3CDKDM4EGRM2ALDH1A1CA1
SCHEMBL22067189 0.77 PIK3CD (0.49) PIK3CDKDM4EGRM2
SCHEMBL19091731 0.75 PIK3CD (0.46) PIK3CDKDM4EGRM2
SCHEMBL22596111 0.75 PIK3CD (0.46) PIK3CDKDM4EGRM2CA1CA9
SCHEMBL14607449 0.75 PIK3CD (0.46) PIK3CDKDM4EGRM2CA1CA9
SCHEMBL19766973 0.74 PIK3CD (0.36) PIK3CD
SCHEMBL22065917 0.74 PIK3CD (0.45) PIK3CDKDM4EGRM2ALDH1A1
SCHEMBL12129117 0.74 PIK3CD (0.38) PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed
US-20230039712-A1 PHENYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-02-09 US disclosed
US-20220411429-A1 CONDENSED PYRIDAZINE OR PYRIMIDINE AS BTK INHIBITORS BIOGEN MA INC. 2022-12-29 US disclosed
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-27 US disclosed
US-10233152-B2 LSD1 inhibitors Mirati Therapeutics, Inc. (US) 2019-03-19 US disclosed
US-20180127369-A1 LSD1 Inhibitors Mirati Therapeutics, Inc. 2018-05-10 US disclosed
US-20180127369-A1 LSD1 Inhibitors Mirati Therapeutics, Inc. 2018-05-10 US disclosed
US-20180009798-A1 Inhibitors of Beta-Hydroxylase for Treatment of Cancer MIDWESTERN UNIVERSITY 2018-01-11 US disclosed
US-9809541-B2 LSD1 inhibitors Mirati Therapeutics, Inc. (US) 2017-11-07 US disclosed
US-9809541-B2 LSD1 inhibitors Mirati Therapeutics, Inc. (US) 2017-11-07 US disclosed
US-20090131491-A1 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I SHIONOGI & CO., LTD. (JP) 2009-05-21 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-20090054408-A1 Monocyclic anilide spirolactam cgrp receptor antagonists MERCK SHARP & DOHME LLC 2009-02-26 US disclosed
US-20090054408-A1 Monocyclic anilide spirolactam cgrp receptor antagonists MERCK SHARP & DOHME LLC 2009-02-26 US disclosed
US-20090030045-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-01-29 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
US-20070259924-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2007-11-08 US disclosed
US-20070259924-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2007-11-08 US disclosed
US-7192954-B2 Monocyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-03-20 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 (11 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-10233152-B2 LSD1 inhibitors KDM1B, KDM1A, KDM3A PIK3CD 3138/4885KDM4E 14/4885GRM2 760/4885
US-20090030045-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PIK3CD 1521/4885KDM4E 2361/4885GRM2 4801/4885
US-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 PIK3CD 1372/4885KDM4E 364/4885GRM2 2893/4885
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 PIK3CD 137/4885KDM4E 729/4885GRM2 1427/4885
US-20090131491-A1 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I HSD3B1, NR5A1, HSD11B1 PIK3CD 2030/4885KDM4E 2542/4885GRM2 1562/4885
US-20230039712-A1 PHENYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 PIK3CD 345/4885KDM4E 1256/4885GRM2 3321/4885
US-20220411429-A1 CONDENSED PYRIDAZINE OR PYRIMIDINE AS BTK INHIBITORS BTK, CDK2, SYK PIK3CD 72/4885KDM4E 1694/4885GRM2 3045/4885
US-20090054408-A1 Monocyclic anilide spirolactam cgrp receptor antagonists BDKRB1, BDKRB2, CALCRL PIK3CD 3568/4885KDM4E 3491/4885GRM2 703/4885
US-20070259924-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PIK3CD 1521/4885KDM4E 2361/4885GRM2 4801/4885
US-20180009798-A1 Inhibitors of Beta-Hydroxylase for Treatment of Cancer ASPH, CYP46A1, ALDH7A1 PIK3CD 1609/4885KDM4E 465/4885GRM2 2930/4885
US-20180127369-A1 LSD1 Inhibitors KDM1B, KDM1A, KDM3A PIK3CD 3138/4885KDM4E 14/4885GRM2 760/4885

“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.