SCHEMBL694642

SCHEMBL694642

CC(C)(C)OC(=O)C1CCCCN1N

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
CASP3 P42574 1/20 0.39
FKBP1A P62942 5/20 0.38
EPHX1 P07099 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
PREP P48147 2/20 0.36
NPC1 O15118 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
SCHEMBL23999544 0.95 HSD17B10 (0.41) ALDH1A1MAPTSMN1; SMN2HPGDCASP3
SCHEMBL3898404 0.95 HSD17B10 (0.41) ALDH1A1MAPTSMN1; SMN2HPGDCASP3
SCHEMBL16826921 0.87 HRH3 (0.40) ALDH1A1SMN1; SMN2HPGDCASP3EPHX1
SCHEMBL2261903 0.81 CASP3 (0.43) SMN1; SMN2HPGDCASP3FKBP1AEPHX1
SCHEMBL29894062 0.81 HPGD (0.41) HPGDCASP3FKBP1AEPHX1HSD17B10
SCHEMBL7538169 0.81 HPGD (0.41) HPGDCASP3FKBP1AEPHX1HSD17B10
SCHEMBL17595517 0.81 HPGD (0.41) HPGDCASP3FKBP1AEPHX1HSD17B10
SCHEMBL17595518 0.81 HPGD (0.41) HPGDCASP3FKBP1AEPHX1HSD17B10
SCHEMBL25730353 0.81 HPGD (0.41) HPGDCASP3FKBP1AEPHX1HSD17B10
SCHEMBL18884425 0.80 SMN1; SMN2 (0.49) ALDH1A1MAPTSMN1; SMN2FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104016977-B A kind of replacement thiadiazine diketone derivative and preparation method thereof and application 山东大学 2016-06-22 CN claimed
WO-2024017381-A1 COMPOUND FOR INHIBITING IRAK4 ACTIVITY AND USE THEREOF 深圳众格生物科技有限公司 2024-01-25 WO disclosed
EP-3833666-B1 PROCESSES FOR THE PREPARATION OF BOC-LINAGLIPTIN RICHTER GEDEON NYRT (HU) 2022-11-02 EP disclosed
CN-113607831-B Detection method of 4-Boc-aminopiperidine related substance 河北国龙制药有限公司 2022-04-08 CN disclosed
CN-113121467-B Benzothiazole derivative and medical application thereof 河北师范大学 2022-03-29 CN disclosed
CN-113607831-A Detection method of 4-Boc-aminopiperidine related substance 河北国龙制药有限公司 2021-11-05 CN disclosed
EP-3833666-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BOC-LINAGLIPTIN Richter Gedeon Nyrt. (HU) 2021-06-16 EP disclosed
WO-2020031040-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BOC-LINAGLIPTIN RICHTER GEDEON NYRT. (HU) 2020-02-13 WO disclosed
CN-107602532-A A kind of SYR-322 industrialized preparing process 合肥远志医药科技开发有限公司 2018-01-19 CN disclosed
EP-3256217-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE Basilea Pharmaceutica International AG (CH) 2017-12-20 EP disclosed
WO-2005037207-A2 ARYLALKYL-PIPERAZINE DERIVATIVES FOR THE TREATMENT OF CONDITIONS AMELIORATED BY MONOAMINE REUPTAKE INCLUDING VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-04-28 WO disclosed
WO-2005037807-A1 ARYLALKYL- AND CYCLOALKYLALKYL-PIPERAZINE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 WO disclosed
WO-2005037809-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 WO disclosed
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-26 US disclosed
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-12 US disclosed
WO-2004035576-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 WO disclosed
WO-2004035577-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 WO disclosed
CN-1481376-A HYDROXYBENZAMIDE DERIVATIVES AS FACTOR XA INHIBITORS ���ĵ�˹ҩ��¹����޹�˾ 2004-03-10 CN disclosed
US-4382892-A Benzoxazine derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1983-05-10 US disclosed
EP-0047005-A1 Benzoxazine derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1982-03-10 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 (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-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 ALDH1A1 2541/4885MAPT 4371/4885SMN1; SMN2 3976/4885
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 ALDH1A1 2541/4885MAPT 4371/4885SMN1; SMN2 3976/4885

“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.