SCHEMBL360169

SCHEMBL360169

O=C(O)C1CCC2(CCCCC2)NC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.43
▸ TSHR P16473 3/20 0.42
▸ SLC6A1 P30531 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ SLC6A11 P48066 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SLC6A13 Q9NSD5 1/20 0.42
▸ CYP2C19 P33261 3/20 0.36
▸ GRM2 Q14416 2/20 0.36
▸ GRM3 Q14832 2/20 0.36
▸ GRM4 Q14833 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GRM8 O00222 1/20 0.36
▸ GRM6 O15303 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ GRM1 Q13255 1/20 0.36
▸ PLCB1 Q9NQ66 1/20 0.36

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
SCHEMBL16599866 0.86 AURKA (0.33) AURKA
SCHEMBL21382963 0.83 KDM4E (0.44) AURKAKMT2ACYP2D6
SCHEMBL10178884 0.82 CYP2C19 (0.38) AURKATSHRSLC6A1LMNASLC6A11
SCHEMBL19971681 0.81 TSHR (0.43) AURKATSHRSLC6A1LMNASLC6A11
SCHEMBL30581663 0.81 KDM4E (0.46) AURKAKMT2ACYP2D6
SCHEMBL22284633 0.80 CYP2C19 (0.39) AURKATSHRSLC6A1LMNASLC6A11
SCHEMBL5432155 0.79 CHRNB2 (0.40) SMN1; SMN2
SCHEMBL3346687 0.78 TSHR (0.45) AURKATSHRSLC6A1LMNASLC6A11
SCHEMBL16214734 0.76 TSHR (0.42) TSHRSLC6A1LMNASLC6A11SMN1; SMN2
SCHEMBL15232691 0.75 TSHR (0.50) AURKATSHRSLC6A1LMNASLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024227104-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BRAF VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2024-10-31 — — WO disclosed
WO-2024050078-A1 PYRIDAZINON DERIVATIVES AS KAT2 DEGRADERS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AURON THERAPEUTICS, INC. (US) 2024-03-07 — — WO disclosed
US-11891365-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO HEALTH, INC. (US) 2024-02-06 — — US disclosed
US-20220363651-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2022-11-17 — — US disclosed
WO-2022223033-A1 SOS1 DEGRADING AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海领泰生物医药科技有限公司 2022-10-27 — — WO disclosed
US-10988450-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-04-27 — — US disclosed
US-10464909-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-11-05 — — US disclosed
US-10457652-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-10-29 — — US disclosed
US-10442776-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-10-15 — — US disclosed
US-10421732-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-09-24 — — US disclosed
US-20190119228-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2019-04-25 — — US disclosed
US-20190119230-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2019-04-25 — — US disclosed
US-20190119229-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2019-04-25 — — US disclosed
US-20160222028-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2016-08-04 — — US disclosed
US-9403839-B2 Pyran-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-08-02 — — US disclosed
US-20150005304-A1 Pyran-Spirocyclic Piperidine Amides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-01 — — US disclosed
US-8278319-B2 Substituted spiroamine compounds GRUENENTHAL GMBH (DE) 2012-10-02 — — US disclosed
WO-2012009217-A1 SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-01-19 — — WO disclosed
WO-2010142402-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2010-12-16 — — WO disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 — — 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 (13 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-20190119228-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 AURKA 1015/4885TSHR 2463/4885SLC6A1 3652/4885
US-11891365-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 AURKA 1015/4885TSHR 2463/4885SLC6A1 3652/4885
US-10442776-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 AURKA 1015/4885TSHR 2463/4885SLC6A1 3652/4885
US-20100113417-A1 Substituted Spiroamine Compounds BDKRB1, BDKRB2, REN AURKA 2343/4885TSHR 477/4885SLC6A1 1848/4885
US-10457652-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 AURKA 1015/4885TSHR 2463/4885SLC6A1 3652/4885
US-20150005304-A1 Pyran-Spirocyclic Piperidine Amides as Modulators of Ion Channels TRPV1, KCNJ2, KCNJ1 AURKA 1312/4885TSHR 1701/4885SLC6A1 359/4885
US-20190119229-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 AURKA 1015/4885TSHR 2463/4885SLC6A1 3652/4885
US-20190119230-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 AURKA 1015/4885TSHR 2463/4885SLC6A1 3652/4885
US-10464909-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 AURKA 1015/4885TSHR 2463/4885SLC6A1 3652/4885
US-10988450-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 AURKA 1015/4885TSHR 2463/4885SLC6A1 3652/4885
US-20160222028-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 AURKA 1015/4885TSHR 2463/4885SLC6A1 3652/4885
US-20220363651-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 AURKA 1015/4885TSHR 2463/4885SLC6A1 3652/4885
US-10421732-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 AURKA 1015/4885TSHR 2463/4885SLC6A1 3652/4885

“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.

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