SCHEMBL2114822

SCHEMBL2114822

O=C1C=CN2CCCC2C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.49
SRD5A1 P18405 6/20 0.39
SRD5A2 P31213 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 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
SCHEMBL11086770 0.74
SCHEMBL18894611 0.72 HTR2C (0.39)
SCHEMBL4637369 0.71
SCHEMBL6431503 0.63 SRD5A2 (0.47) SRD5A1SRD5A2
SCHEMBL6431907 0.63 SRD5A2 (0.47) SRD5A1SRD5A2
SCHEMBL6435004 0.63 SRD5A2 (0.47) SRD5A1SRD5A2
SCHEMBL10515993 0.63
SCHEMBL10522115 0.62 CTDSP1 (0.46) CTDSP1ALDH1A1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL3435214 0.61
SCHEMBL4471221 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20200223860-A1 THE TOTAL SYNTHESIS OF GLUCOSEPANE AND RELATED CHEMICAL REACTIONS, COMPOUNDS AND COMPOSITIONS AND OBTAINED THEREFROM AND METHODS OF TREATMENT UNIV YALE (US) 2020-07-16 US disclosed
US-10457643-B2 (−)-huperzine A processes and related compositions and methods of treatment YALE UNIVERSITY (US) 2019-10-29 US disclosed
EP-3434669-A1 INTERMEDIATE COMPOUNDS UTILIZABLE IN SYNTHESIS OF (-) HUPERZINE AND PROCESS FOR OBTAIN ONE OF THESE INTERMEDIATE COMPOUNDS Yale University (US) 2019-01-30 EP disclosed
US-20180291031-A1 TOTAL SYNTHESIS OF GLUCOSEPANE AND COMPOUNDS OBTAINED THEREFROM YALE UNIVERSITY (US) 2018-10-11 US disclosed
US-20150087886-A1 NOVEL BIFUNCTIONAL METNASE/INTNASE INHIBITORS AND RELATED COMPOSITIONS AND METHODS OF TREATMENT OF CANCER THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2015-03-26 US disclosed
US-8889689-B2 Bifunctional metnase/intnase inhibitors and related compositions and methods of treatment of cancer STC.UNM (US) 2014-11-18 US disclosed
US-20140248268-A1 Rab7 GTPase Inhibitors and Related Methods of Treatment THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2014-09-04 US disclosed
US-8765803-B1 Rab7 GTPase inhibitors and related methods of treatment STC.UNM (US) 2014-07-01 US disclosed
EP-2681199-A1 (--)- HUPERZINE A PROCESSES AND RELATED COMPOSITIONS AND METHODS OF TREATMENT Yale University (US) 2014-01-08 EP disclosed
US-20120302582-A1 NOVEL BIFUNCTIONAL METNASE/INTNASE INHIBITORS AND RELATED COMPOSITIONS AND METHODS OF TREATMENT OF CANCER THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2012-11-29 US disclosed
WO-2012121863-A1 (--)- HUPERZINE A PROCESSES AND RELATED COMPOSITIONS AND METHODS OF TREATMENT YALE UNIVERSITY (US) 2012-09-13 WO disclosed
US-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2012-04-19 US disclosed
WO-2011094260-A2 NOVEL BIFUNCTIONAL METNASE/INTNASE INHIBITORS AND RELATED COMPOSITIONS AND METHODS OF TREATMENT OF CANCER STC. UNM (US) 2011-08-04 WO disclosed
WO-2010114919-A2 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER STC.UNM (US) 2010-10-07 WO 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 (12 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 CTDSP1 3051/4885SRD5A1 1448/4885SRD5A2 1025/4885
US-20120302582-A1 NOVEL BIFUNCTIONAL METNASE/INTNASE INHIBITORS AND RELATED COMPOSITIONS AND METHODS OF TREATMENT OF CANCER POLN, MED16, POLR2E CTDSP1 109/4885SRD5A1 3790/4885SRD5A2 4001/4885
US-11142503-B2 (−)-huperzine A processes and related compositions and methods of treatment CHRNA5, HTR2A, GRIK5 CTDSP1 3051/4885SRD5A1 1448/4885SRD5A2 1025/4885
US-20200392086-A1 (--)-Huperzine A Processes and Related Compositions and Methods of Treatment CHRNA5, HTR2A, HTT CTDSP1 3033/4885SRD5A1 1458/4885SRD5A2 1032/4885
US-20150087886-A1 NOVEL BIFUNCTIONAL METNASE/INTNASE INHIBITORS AND RELATED COMPOSITIONS AND METHODS OF TREATMENT OF CANCER POLN, MED16, GMNN CTDSP1 127/4885SRD5A1 3622/4885SRD5A2 3975/4885
US-20140248268-A1 Rab7 GTPase Inhibitors and Related Methods of Treatment RAB7A, RAB5B, RAB1A CTDSP1 3905/4885SRD5A1 3909/4885SRD5A2 4177/4885
US-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER RNASE1, DCLRE1B, FEN1 CTDSP1 562/4885SRD5A1 3319/4885SRD5A2 3674/4885
US-10457643-B2 (−)-huperzine A processes and related compositions and methods of treatment CHRNA5, HTR2A, GRIK5 CTDSP1 3051/4885SRD5A1 1448/4885SRD5A2 1025/4885
US-20200223860-A1 THE TOTAL SYNTHESIS OF GLUCOSEPANE AND RELATED CHEMICAL REACTIONS, COMPOUNDS AND COMPOSITIONS AND OBTAINED THEREFROM AND METHODS OF TREATMENT PTMS, AGER, GALE CTDSP1 3671/4885SRD5A1 3969/4885SRD5A2 4236/4885
US-12134602-B2 (−)-huperzine A processes and related compositions and methods of treatment CHRNA5, HTR2A, GRIK5 CTDSP1 3051/4885SRD5A1 1448/4885SRD5A2 1025/4885
US-20220064123-A1 (--)-Huperzine A Processes and Related Compositions and Methods of Treatment CHRNA5, HTR2A, HTT CTDSP1 3033/4885SRD5A1 1458/4885SRD5A2 1032/4885
US-20180291031-A1 TOTAL SYNTHESIS OF GLUCOSEPANE AND COMPOUNDS OBTAINED THEREFROM PTMS, GALE, AGER CTDSP1 3552/4885SRD5A1 3949/4885SRD5A2 4192/4885

“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.