Sugi Predict

Sugi Predict / Compounds / SCHEMBL568477

SCHEMBL568477

SCHEMBL568477

O=C1CCCN(Cc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.53
▸ SLC6A5 Q9Y345 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CLPP Q16740 1/20 0.46
▸ MC4R P32245 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ PNMT P11086 1/20 0.45

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
Hydrochloric Acid SCHEMBL1243957 0.98 SIGMAR1 (0.52) SIGMAR1SLC6A5L3MBTL1TMEM97CYP1A2
Hydrochloric Acid SCHEMBL16760314 0.97 SIGMAR1 (0.50) SIGMAR1SLC6A5L3MBTL1TMEM97CYP1A2
Hydrogen Peroxide SCHEMBL27308227 0.97 SIGMAR1 (0.50) SIGMAR1SLC6A5L3MBTL1TMEM97CYP1A2
Hydrochloric Acid SCHEMBL2346749 0.97 SIGMAR1 (0.50) SIGMAR1SLC6A5L3MBTL1TMEM97CYP1A2
SCHEMBL1366467 0.95 L3MBTL1 (0.54) SIGMAR1SLC6A5L3MBTL1CYP2D6CYP2C19
SCHEMBL1713728 0.89 SIGMAR1 (0.63) SIGMAR1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL266771 0.89 SLC6A5 (0.59) SIGMAR1SLC6A5CLPPMC4RACHE
Hydrochloric Acid SCHEMBL31714128 0.87 SLC6A5 (0.57) SIGMAR1SLC6A5MC4RACHEPNMT
SCHEMBL484888 0.86 SIGMAR1 (0.59) SIGMAR1MC4R
SCHEMBL4055438 0.86 HRH3 (0.59) SIGMAR1L3MBTL1CYP2D6CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119574680-A Mass spectrum detection method for N-heterocyclic ketone and/or N-heterocyclic chiral amino compound and application thereof 北京衍微科技有限公司 2025-03-07 — — CN claimed
CN-111363732-B Transaminase mutant from aspergillus terreus NIH2624 and application thereof 卡柔恩赛生物技术湖北有限公司 2023-05-23 — — CN claimed
CN-116042560-A Mutant of recombinant aminotransferase and application thereof 清华大学 2023-05-02 — — CN claimed
CN-113461598-B Process for producing piperidinol compound 山东华素制药有限公司 2023-04-18 — — CN claimed
US-20230064377-A1 PREPARATION METHOD OF A HIGH-OPTICAL-PURITY CHIRAL OXO-AZA-CYCLOALKANE COMPOUND XIN FA PHARMACEUTICAL CO., LTD. (CN) 2023-03-02 — — US claimed
CN-113461598-A Process for producing piperidinol compound 山东华素制药有限公司 2021-10-01 — — CN claimed
CN-110240561-B Low-cost preparation method of 3-hydroxypyridine 新发药业有限公司 2020-08-04 — — CN claimed
CN-111363732-A Transaminase mutant derived from aspergillus terreus NIH2624 and application thereof 重庆迪维斯生物科技有限公司 2020-07-03 — — CN claimed
CN-106589355-B Non-viral gene transfection carrier material of the one kind based on cationic helical polypeptide 广州医科大学 2019-02-01 — — CN claimed
CN-108203404-A (R) synthetic method of -3- Phenylpiperidines or/and the chiral intermediate of (S) -3- Phenylpiperidines and Ni Lapani 上海博邦医药科技有限公司 2018-06-26 — — CN claimed
US-20140004575-A1 MODIFIED AMINOTRANSFERASE, GENE THEREOF, AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUND USING SAME KANEKA CORPORATION (JP) 2014-01-02 — — US claimed
CN-103275063-A Method for preparing halofuginone hydrobromide CHONGQING WEIPENG PHARMACEUTICAL CO LTD 2013-09-04 — — CN claimed
US-20130210092-A1 Novel Transaminase, Gene Encoding the Same, and Method Using Them KANEKA CORPORATION (JP) 2013-08-15 — — US claimed
EP-2623595-A1 NOVEL TRANSAMINASE SHOWING HIGH ACTIVITY FOR GLUTAMIC ACID, GENE ENCODING SAME, AND METHOD FOR UTILIZATION THEREOF Kaneka Corporation (JP) 2013-08-07 — — EP claimed
EP-2623593-A1 NOVEL AMINOTRANSFERASE AND GENE ENCODING SAME, AND USE OF THE AMINOTRANSFERASE AND THE GENE Kaneka Corporation (JP) 2013-08-07 — — EP claimed
US-20130196389-A1 NOVEL TRANSAMINASE EXHIBITING HIGH ACTIVITY FOR GLUTAMIC ACID, GENE ENCODING SAME, AND METHOD FOR USING THEM KANEKA CORPORATION (JP) 2013-08-01 — — US claimed
CN-103140580-A Novel aminotransferase, gene encoding the same, and method for using the same KANEKA CORP 2013-06-05 — — CN claimed
EP-0691956-A1 3-PHENYL-1,2,5,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEDATIVES LABORATOIRE L. LAFON (FR) 1996-01-17 — — EP claimed
WO-1994022827-A1 3-PHENYL-1,2,5,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEDATIVES LABORATOIRE L. LAFON (FR) 1994-10-13 — — WO claimed
EP-0021924-B1 INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1983-03-16 — — EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20230064377-A1 PREPARATION METHOD OF A HIGH-OPTICAL-PURITY CHIRAL OXO-AZA-CYCLOALKANE COMPOUND LTA, GDA, QPCT SIGMAR1 3295/4885SLC6A5 1587/4885L3MBTL1 4350/4885

“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.