SCHEMBL2115680

SCHEMBL2115680

O=C1NCCN2CCCCC12

nearest known ligand 0.89

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.89
KDM4E B2RXH2 1/20 0.89
HTR6 P50406 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 2/20 0.36
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 2/20 0.33
APEX1 P27695 1/20 0.33
SLC18A3 Q16572 1/20 0.33
CYP2D6 P10635 1/20 0.32

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
SCHEMBL25598757 0.98 ALDH1A1 (0.85) ALDH1A1KDM4EHTR6L3MBTL1POLB
SCHEMBL25687896 0.98 ALDH1A1 (0.85) ALDH1A1KDM4EHTR6L3MBTL1POLB
SCHEMBL337149 0.94 ALDH1A1 (1.00) ALDH1A1KDM4EL3MBTL1POLBKMT2A
SCHEMBL337396 0.94 ALDH1A1 (1.00) ALDH1A1KDM4EL3MBTL1POLBKMT2A
SCHEMBL7383705 0.92 ALDH1A1 (0.75) ALDH1A1KDM4EHTR6L3MBTL1POLB
SCHEMBL11329761 0.90 ALDH1A1 (0.72) ALDH1A1KDM4EHTR6L3MBTL1POLB
SCHEMBL2301305 0.86 ALDH1A1 (0.71) ALDH1A1KDM4EHTR6L3MBTL1POLB
SCHEMBL337373 0.86 ALDH1A1 (0.85) ALDH1A1KDM4EL3MBTL1POLBKMT2A
SCHEMBL24221675 0.82 KDM4E (0.71) ALDH1A1KDM4EPOLB
SCHEMBL25669872 0.80 ALDH1A1 (0.64) ALDH1A1KDM4EL3MBTL1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058315-A1 2-Oxo-ethanesulfonamide derivates ASTRAZENECA AB (SE) 2006-03-16 US claimed
EP-1562574-A1 2-OXO-ETHANESULFONAMIDE DERIVATES Astrazeneca AB (SE) 2005-08-17 EP claimed
WO-2004041264-A1 2-OXO-ETHANESULFONAMIDE DERIVATES ASTRAZENECA AB (SE) 2004-05-21 WO claimed
JP-3258720-A None JP disclosed
US-12134602-B2 (−)-huperzine A processes and related compositions and methods of treatment YALE UNIVERSITY (US) 2024-11-05 US disclosed
US-20220064123-A1 (--)-Huperzine A Processes and Related Compositions and Methods of Treatment UNIV YALE (US) 2022-03-03 US disclosed
US-11142503-B2 (−)-huperzine A processes and related compositions and methods of treatment YALE UNIVERSITY (US) 2021-10-12 US disclosed
EP-3368524-B1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-08-18 EP disclosed
US-20200392086-A1 (--)-Huperzine A Processes and Related Compositions and Methods of Treatment UNIV YALE (US) 2020-12-17 US disclosed
EP-3434669-B1 INTERMEDIATE COMPOUNDS UTILIZABLE IN SYNTHESIS OF (-) HUPERZINE AND PROCESS FOR OBTAIN ONE OF THESE INTERMEDIATE COMPOUNDS UNIV YALE (US) 2020-11-04 EP disclosed
US-10781179-B2 (−)-huperzine A processes and related compositions and methods of treatment YALE UNIVERSITY (US) 2020-09-22 US disclosed
US-7683056-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2010-03-23 US disclosed
US-20060058315-A1 2-Oxo-ethanesulfonamide derivates ASTRAZENECA AB (SE) 2006-03-16 US disclosed
EP-1562574-A1 2-OXO-ETHANESULFONAMIDE DERIVATES Astrazeneca AB (SE) 2005-08-17 EP disclosed
WO-2004041264-A1 2-OXO-ETHANESULFONAMIDE DERIVATES ASTRAZENECA AB (SE) 2004-05-21 WO disclosed
EP-0703908-A1 ANALGESIC DIBENZOXAZEPINES AND DIBENZOTHIAZEPINES G.D. SEARLE & CO. (US) 1996-04-03 EP disclosed
US-5461047-A Analgesics and treats prostaglandin-E2 mediated diseases in animals G. D. SEARLE & CO. (US) 1995-10-24 US disclosed
WO-1994029286-A1 ANALGESIC DIBENZOXAZEPINES AND DIBENZOTHIAZEPINES G.D. SEARLE & CO. (US) 1994-12-22 WO disclosed
US-5354747-A Analgesics G. D. SEARLE & CO. (US) 1994-10-11 US disclosed
JP-H03258720-A CEREBRAL METABOLISM ACTIVATING AND PROTECTING AGENT AND CEREBRAL FUNCTION IMPROVING AGENT TAIHO YAKUHIN KOGYO KK 1991-11-19 JP 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 (6 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-10781179-B2 (−)-huperzine A processes and related compositions and methods of treatment CHRNA5, HTR2A, GRIK5 ALDH1A1 341/4885KDM4E 1782/4885HTR6 131/4885
US-11142503-B2 (−)-huperzine A processes and related compositions and methods of treatment CHRNA5, HTR2A, GRIK5 ALDH1A1 341/4885KDM4E 1782/4885HTR6 131/4885
US-20200392086-A1 (--)-Huperzine A Processes and Related Compositions and Methods of Treatment CHRNA5, HTR2A, HTT ALDH1A1 316/4885KDM4E 1487/4885HTR6 143/4885
US-20060058315-A1 2-Oxo-ethanesulfonamide derivates HSD11B1, HSD3B1, HSD11B2 ALDH1A1 65/4885KDM4E 1918/4885HTR6 2960/4885
US-12134602-B2 (−)-huperzine A processes and related compositions and methods of treatment CHRNA5, HTR2A, GRIK5 ALDH1A1 341/4885KDM4E 1782/4885HTR6 131/4885
US-20220064123-A1 (--)-Huperzine A Processes and Related Compositions and Methods of Treatment CHRNA5, HTR2A, HTT ALDH1A1 316/4885KDM4E 1487/4885HTR6 143/4885

“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.