SCHEMBL2728754

SCHEMBL2728754

O=C(ON1CCNCC1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
PKM P14618 1/20 0.34
CHKA P35790 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL5875307 0.81 CA2 (0.35) CA2CA12CA1CA9CHKA
SCHEMBL15355468 0.80
SCHEMBL2721518 0.80 MLYCD (0.33)
SCHEMBL27473154 0.79 SIGMAR1 (0.35) CA2CA12CA1CA9CHKA
SCHEMBL980149 0.78 MLYCD (0.32)
Hydrochloric Acid SCHEMBL7098403 0.78 HPGD (0.37) CA2CA12CA1CA9CHKA
Hydrochloric Acid SCHEMBL27722005 0.78 HPGD (0.37) CA2CA12CA1CA9CHKA
SCHEMBL22442213 0.77 KDM4E (0.33)
SCHEMBL27480810 0.75
SCHEMBL14812645 0.75 SMN1; SMN2 (0.40) CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101935311-B Piperazinium trifluoroacetate compound and carbon dioxide absorbent using the same HYUNDAI MOTOR CO LTD 2015-06-10 CN claimed
US-8287627-B2 Piperazinium trifluoroacetate compound and carbon dioxide absorbent using the same HYUNDAI MOTOR COMPANY (KR) 2012-10-16 US claimed
CN-101935311-A Piperazinium trifluoroacetate compound and carbon dioxide absorbent using the same HYUNDAI MOTOR CO LTD 2011-01-05 CN claimed
US-20100326277-A1 PIPERAZINIUM TRIFLUOROACETATE COMPOUND AND CARBON DIOXIDE ABSORBENT USING THE SAME HYUNDAI MOTOR COMPANY (KR) 2010-12-30 US claimed
CN-100482651-C Diaminothiazoles HOFFMANN LA ROCHE (CH) 2009-04-29 CN claimed
US-20260132143-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2026-05-14 US disclosed
WO-2025120168-A1 SULFONAMIDE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CRYPTOSPORIDIUM INFECTIONS INSTITUT NATIONAL DE RECHERCHE POUR L'AGRICULTURE, L'ALIMENTATION ET L'ENVIRONNEMENT (INRAE) (FR) 2025-06-12 WO disclosed
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof Beijing Adamadle Biotechnology Limited Liability Company (CN) 2022-06-07 US disclosed
CN-110088098-A Quinazolinones PARP-1 inhibitor and preparation method thereof, pharmaceutical composition and purposes 中国医学科学院药物研究所 2019-08-02 CN disclosed
CN-108707139-A Amino-metadiazine compound and its preparation method and application 北京浦润奥生物科技有限责任公司 2018-10-26 CN disclosed
CN-104736535-B Heterocyclic modulators of HIF activity for treatment of disease 德州大学系统董事会 2017-12-19 CN disclosed
CN-1278793-A Sulfonyl derivatives DAIICHI SEIYAKU CO (JP) 2001-01-03 CN disclosed
CN-1230196-A Modified aminoacids, pharmaceuticals containing these compounds and method for their prodn. THOMAE GMBH DR K (DE) 1999-09-29 CN disclosed
CN-1044236-C Oxazolidinone antimicrobials containing substituted diazine moieties PHARMACIA UPJOHN CO (US) 1999-07-21 CN disclosed
CN-1154699-A (Azetidin-1-ylalkyl) lactams as tachykinin antagonists PFIZER LTD (IE) 1997-07-16 CN disclosed
CN-1030767-C 1-methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1996-01-24 CN disclosed
CN-1079964-A The  (oxazolidinon-5-yl-methyl)-2-thiophene-carboxamides antiseptic-germicide that contains the substituted diazine moieties base UPJOHN CO (US) 1993-12-29 CN disclosed
CN-1070399-A The amide derivatives oxytocin antagonist that piperizinylcamphorsuoxytocin replaces MERCK & CO INC (US) 1993-03-31 CN disclosed
CN-1069494-A 1-methylcarbapenem derivatives, its preparation and antibiotic purposes thereof SANKYO CO (JP) 1993-03-03 CN 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-20100326277-A1 PIPERAZINIUM TRIFLUOROACETATE COMPOUND AND CARBON DIOXIDE ABSORBENT USING THE SAME SLC16A7, SLC16A1, SLC16A3 CA2 10/4885CA12 142/4885CA1 82/4885
US-20260132143-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF KRAS, NRAS, HRAS CA2 661/4885CA12 2420/4885CA1 2103/4885
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof WEE1, WEE2, EGFR CA2 4378/4885CA12 4587/4885CA1 4575/4885

“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.