SCHEMBL880633

SCHEMBL880633

CC(C)(C)OC(=O)N[C@H]1CC[C@H](C#N)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.56
BTK Q06187 1/20 0.49
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
KCNA3 P22001 1/20 0.45
GAA P10253 2/20 0.44
EPHX1 P07099 2/20 0.43
DRD2 P14416 3/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HSD11B1 P28845 2/20 0.40
EPHX2 P34913 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CTSS P25774 1/20 0.39

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
SCHEMBL19915899 1.00 CTSK (0.56) CTSKBTKKDM1AMAOBKCNA3
SCHEMBL25455746 0.90 BTK (0.54) CTSKBTKKDM1AMAOBKCNA3
SCHEMBL14737711 0.90 BTK (0.54) CTSKBTKKDM1AMAOBKCNA3
SCHEMBL25640416 0.90 BTK (0.54) CTSKBTKKDM1AMAOBKCNA3
SCHEMBL31629826 0.90 BTK (0.54) CTSKBTKKDM1AMAOBKCNA3
SCHEMBL3898086 0.90 BTK (0.54) CTSKBTKKDM1AMAOBKCNA3
SCHEMBL8271202 0.90 BTK (0.54) CTSKBTKKDM1AMAOBKCNA3
SCHEMBL3702157 0.86 BTK (0.61) CTSKBTKKDM1AMAOBGAA
SCHEMBL10343938 0.86 BTK (0.61) CTSKBTKKDM1AMAOBGAA
SCHEMBL3702152 0.86 BTK (0.61) CTSKBTKKDM1AMAOBGAA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2023-11-30 US disclosed
US-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2023-11-30 US disclosed
US-20230165867-A1 IMIDAZOLIDINONE DERIVATIVES AND MEDICAL USE THEREOF KANGBAIDA (SICHUAN) BIOTECHNOLOGY CO., LTD. (CN) 2023-06-01 US disclosed
US-11572362-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2023-02-07 US disclosed
US-20210379069-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S R L (IT) 2021-12-09 US disclosed
US-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-11-05 US disclosed
US-10738060-B2 JAK1 selective inhibitors and uses thereof TLL Pharmaceutical, LLC (US) 2020-08-11 US disclosed
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. 2020-03-05 US disclosed
WO-2020036979-A1 PYRROLO[1,2-B]PYRIDAZINE DERIVATIVES AS IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2020-02-20 WO disclosed
US-20190256523-A1 NOVEL JAK1 SELECTIVE INHIBITORS AND USES THEREOF HANGZHOU HIGHLIGHTII PHARMACEUTICAL CO., LTD (CN) 2019-08-22 US disclosed
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
EP-2433943-A1 Thienopyrazole derivatives having PDE7 inhibitory activity Daiichi Sankyo Company, Limited (JP) 2012-03-28 EP 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 (9 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-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B CTSK 2826/4885BTK 1602/4885KDM1A 1373/4885
US-10738060-B2 JAK1 selective inhibitors and uses thereof JAK1, JAK3, JAK2 CTSK 2636/4885BTK 65/4885KDM1A 321/4885
US-11572362-B2 Pyrrolo[1,2-b]pyridazine derivatives CYP11B2, CYP11B1, DHPS CTSK 3294/4885BTK 1916/4885KDM1A 2860/4885
US-20230165867-A1 IMIDAZOLIDINONE DERIVATIVES AND MEDICAL USE THEREOF SYMPK, PAICS, CYP2C9 CTSK 1222/4885BTK 412/4885KDM1A 3791/4885
US-20190256523-A1 NOVEL JAK1 SELECTIVE INHIBITORS AND USES THEREOF JAK1, JAK3, JAK2 CTSK 2626/4885BTK 56/4885KDM1A 325/4885
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES CYP11B2, CYP11B1, DHPS CTSK 3294/4885BTK 1916/4885KDM1A 2860/4885
US-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 CTSK 820/4885BTK 4149/4885KDM1A 573/4885
US-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF KDM1B, KDM1A, KDM2A CTSK 1812/4885BTK 2910/4885KDM1A 2/4885
US-20210379069-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 CTSK 820/4885BTK 4149/4885KDM1A 573/4885

“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.