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Sugi Predict / Compounds / SCHEMBL2397845

SCHEMBL2397845

SCHEMBL2397845

NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 4/20 0.54
▸ HTR2A P28223 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ KDM1A O60341 10/20 0.43
▸ GPR88 Q9GZN0 1/20 0.42
▸ KCNH2 Q12809 2/20 0.41
▸ KDM1B Q8NB78 1/20 0.41
▸ SCN5A Q14524 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ SCN3A Q9NY46 1/20 0.41
▸ MAOB P27338 1/20 0.40
▸ MAOA P21397 1/20 0.40

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
SCHEMBL808740 1.00 SLC9A1 (0.54) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL25909192 0.85 KDM1A (0.61) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL22654463 0.85 KDM1A (0.61) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL14306847 0.85 HTR2A (0.54) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL7655989 0.84 FFAR1 (0.50) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL18272446 0.84 FFAR1 (0.50) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL248384 0.84 FFAR1 (0.50) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL247915 0.84 SLC9A1 (0.48) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL12915852 0.84 FFAR1 (0.50) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL248385 0.84 FFAR1 (0.50) SLC9A1HTR2AHTR2CHTR2BKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117209393-A Preparation method of aromatic cyclopropyl formamide 泓博智源(开原)药业有限公司 2023-12-12 — — CN claimed
CN-110437092-B Preparation method of ticagrelor key intermediate aromatic cyclopropane amide 泓博智源(开原)药业有限公司 2022-06-10 — — CN claimed
CN-107827755-B Synthesis method of ticagrelor intermediate (1R,2S) -2- (3, 4-difluorophenyl) cyclopropylamine 诚达药业股份有限公司 2020-11-24 — — CN claimed
CN-115894496-B Preparation method of ticagrelor and intermediate thereof 上海贝美医药科技有限公司 2025-03-21 — — CN disclosed
CN-117209393-A Preparation method of aromatic cyclopropyl formamide 泓博智源(开原)药业有限公司 2023-12-12 — — CN disclosed
CN-117209393-A Preparation method of aromatic cyclopropyl formamide 泓博智源(开原)药业有限公司 2023-12-12 — — CN disclosed
CN-115894496-A Preparation method of ticagrelor and intermediate thereof 上海贝美医药科技有限公司 2023-04-04 — — CN disclosed
CN-111233673-B Preparation method of chiral aromatic cyclopropylamine and salt thereof and intermediate used in preparation method 苏州元兴生物医药有限公司 2022-08-16 — — CN disclosed
CN-110437092-B Preparation method of ticagrelor key intermediate aromatic cyclopropane amide 泓博智源(开原)药业有限公司 2022-06-10 — — CN disclosed
CN-110437092-B Preparation method of ticagrelor key intermediate aromatic cyclopropane amide 泓博智源(开原)药业有限公司 2022-06-10 — — CN disclosed
CN-107827755-B Synthesis method of ticagrelor intermediate (1R,2S) -2- (3, 4-difluorophenyl) cyclopropylamine 诚达药业股份有限公司 2020-11-24 — — CN disclosed
WO-2013023511-A1 TRIAZOLOPYRIMIDINE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF 上海恒瑞医药有限公司 (CN) 2013-02-21 — — WO disclosed
US-8278475-B2 Processes for the preparation of optically active intermediates ASTRAZENECA AB (SE) 2012-10-02 — — US disclosed
US-20120136167-A1 Processes For The Preparation Of Optically Active Intermediates ASTRAZENECA AB (SE) 2012-05-31 — — US disclosed
WO-2012001531-A2 NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR ACTAVIS GROUP PTC EHF (IS) 2012-01-05 — — WO disclosed
WO-2011132083-A2 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2011-10-27 — — WO disclosed
US-8026396-B2 Processes for the preparation of optically active intermediates ASTRAZENECA AB (SE) 2011-09-27 — — US disclosed
US-20100331575-A1 Processes For The Preparation Of Optically Active Intermediates ASTRAZENECA AB (SE) 2010-12-30 — — US disclosed
US-7790927-B2 Using hypochlorite in water in presence of alkali metal hydroxide ASTRAZENECA AB (SE) 2010-09-07 — — US disclosed
US-20080071114-A1 Processes For The Preparation Of Optically Active Intermediates ASTRAZENECA AB (SE) 2008-03-20 — — 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 (3 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-20080071114-A1 Processes For The Preparation Of Optically Active Intermediates DHPS, CYP1B1, CYP2S1 SLC9A1 4551/4885HTR2A 302/4885HTR2C 118/4885
US-20100331575-A1 Processes For The Preparation Of Optically Active Intermediates DHPS, CYP1B1, CYP2S1 SLC9A1 4551/4885HTR2A 302/4885HTR2C 118/4885
US-20120136167-A1 Processes For The Preparation Of Optically Active Intermediates DHPS, CYP2S1, CYP1B1 SLC9A1 4566/4885HTR2A 315/4885HTR2C 112/4885

“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.