SCHEMBL2548949

SCHEMBL2548949

c1cnc(N2CC[N+]3(CCCC3)CC2)nc1

nearest known ligand 0.96

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.96
USP2 O75604 1/20 0.96
POLB P06746 1/20 0.96
ALDH1A1 P00352 1/20 0.48
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 3/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL11161579 1.00 KDM4E (0.96) KDM4EUSP2POLBALDH1A1LMNA
Water SCHEMBL11189175 0.98 KDM4E (0.92) KDM4EUSP2POLBALDH1A1LMNA
Hydrochloric Acid SCHEMBL11173410 0.98 KDM4E (0.92) KDM4EUSP2POLBALDH1A1LMNA
Bromide SCHEMBL31493143 0.98 KDM4E (0.92) KDM4EUSP2POLBALDH1A1LMNA
Water SCHEMBL9007205 0.98 KDM4E (0.92) KDM4EUSP2POLBALDH1A1LMNA
Bromide SCHEMBL9007246 0.98 KDM4E (1.00) KDM4EUSP2POLBALDH1A1LMNA
Bromide SCHEMBL11159403 0.96 KDM4E (0.96) KDM4EUSP2POLBALDH1A1LMNA
SCHEMBL7477665 0.79 KDM4E (0.62) KDM4EUSP2POLBGAA
SCHEMBL9007179 0.78 KDM4E (0.60) KDM4EUSP2POLBALDH1A1LMNA
SCHEMBL2547420 0.78 KDM4E (0.62) KDM4EUSP2POLBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119591836-A High-temperature-resistant and high-humidity-resistant polyisocyanate composition and preparation method thereof 万华化学集团股份有限公司 2025-03-11 CN claimed
CN-115197145-B Chiral spiro ammonium salt compound and preparation method and application thereof 西湖大学 2024-02-13 CN claimed
CN-115197145-A Chiral spiro ammonium salt compound and preparation method and application thereof 西湖大学 2022-10-18 CN claimed
CN-121735879-A Spiro ammonium salt, one-dimensional/two-dimensional perovskite crystal, and preparation method and application thereof 郑州大学 2026-03-27 CN disclosed
CN-121735879-A Spiro ammonium salt, one-dimensional/two-dimensional perovskite crystal, and preparation method and application thereof 郑州大学 2026-03-27 CN disclosed
CN-119591836-A High-temperature-resistant and high-humidity-resistant polyisocyanate composition and preparation method thereof 万华化学集团股份有限公司 2025-03-11 CN disclosed
CN-117886858-A Ammonium phosphate compound and preparation method and application thereof 南昌大学 2024-04-16 CN disclosed
CN-113631605-B Process for preparing polyisocyanates having dimeric, trimeric and/or allophanate and optionally urethane structures 科思创知识产权两合公司 2024-04-09 CN disclosed
CN-115197145-B Chiral spiro ammonium salt compound and preparation method and application thereof 西湖大学 2024-02-13 CN disclosed
CN-115197145-B Chiral spiro ammonium salt compound and preparation method and application thereof 西湖大学 2024-02-13 CN disclosed
CN-115197145-B Chiral spiro ammonium salt compound and preparation method and application thereof 西湖大学 2024-02-13 CN disclosed
US-20140031548-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-01-30 US disclosed
US-8586737-B2 Process of a quaternary ammonium salt using phosphate DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-11-19 US disclosed
EP-2563790-A1 A PROCESS OF A QUATERNARY AMMONIUM SALT Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-03-06 EP disclosed
WO-2011136383-A1 A PROCESS OF A QUATERNARY AMMONIUM SALT DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-11-03 WO disclosed
US-20110263847-A1 PROCESS OF A QUATERNARY AMMONIUM SALT DAINIPPON SUMITOMO PHARMA CO, LTD. (JP) 2011-10-27 US disclosed
US-20110263848-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-10-27 US disclosed
US-5521313-A REACTION OF SPIROQUATERNARY PIPERAZINIUM HYDROXIDE WITH IMIDE COMPOUND; HEATING BRISTOL-MYERS SQUIBB COMPANY (US) 1996-05-28 US disclosed
EP-0502786-B1 Process for the preparation of aryl(or heteroaryl)-piperazin-1-butyl-azole derivatives ESTEVE LABOR DR (ES) 1996-04-24 EP disclosed
EP-0502786-A1 Process for the preparation of aryl(or heteroaryl)-piperazin-1-butyl-azole derivatives LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1992-09-09 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 (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-20140031548-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 KDM4E 792/4885USP2 1765/4885POLB 1160/4885
US-20110263847-A1 PROCESS OF A QUATERNARY AMMONIUM SALT KAT5, ATP1B2, QARS1 KDM4E 774/4885USP2 785/4885POLB 2071/4885
US-20110263848-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 KDM4E 792/4885USP2 1765/4885POLB 1160/4885

“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.