SCHEMBL2113696

SCHEMBL2113696

c1ccc2c(c1)NCC1(CCCCC1)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 6/20 0.33
TSHR P16473 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PDE7A Q13946 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
DRD1 P21728 1/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 2/20 0.33
ATM Q13315 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL13818402 0.95 GAA (0.38) ALDH1A1GAANPSR1ALOX5TSHR
SCHEMBL13209512 0.91 ALOX5 (0.40) ALDH1A1GAANPSR1ALOX5TSHR
SCHEMBL31318556 0.91 ALOX5 (0.40) ALDH1A1GAANPSR1ALOX5TSHR
SCHEMBL12716075 0.84 GAA (0.36) GAANPSR1ALOX5TSHRLMNA
SCHEMBL13254007 0.80 KMT2A (0.45) GAANPSR1KDM4ETSHRLMNA
SCHEMBL13209511 0.78 GAA (0.34) GAANPSR1ALOX5BRD4CREBBP
SCHEMBL24203833 0.74
SCHEMBL1555141 0.72 GAA (0.40) ALDH1A1GAANPSR1ALOX5KDM4E
SCHEMBL30303079 0.72 GAA (0.40) ALDH1A1GAANPSR1ALOX5KDM4E
SCHEMBL988766 0.71 OPRD1 (0.48) GAANPSR1ALOX5CYP2D6OPRD1

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 27 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-20200109118-A1 (--)-HUPERZINE A PROCESSES AND RELATED COMPOSITIONS AND METHODS OF TREATMENT UNIV YALE (US) 2020-04-09 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-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-2010114919-A2 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER STC.UNM (US) 2010-10-07 WO disclosed
US-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 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 (11 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 341/4885GAA 370/4885NPSR1 1834/4885
US-20120302582-A1 NOVEL BIFUNCTIONAL METNASE/INTNASE INHIBITORS AND RELATED COMPOSITIONS AND METHODS OF TREATMENT OF CANCER POLN, MED16, POLR2E ALDH1A1 2927/4885GAA 737/4885NPSR1 4612/4885
US-11142503-B2 (−)-huperzine A processes and related compositions and methods of treatment CHRNA5, HTR2A, GRIK5 ALDH1A1 341/4885GAA 370/4885NPSR1 1834/4885
US-20200392086-A1 (--)-Huperzine A Processes and Related Compositions and Methods of Treatment CHRNA5, HTR2A, HTT ALDH1A1 316/4885GAA 333/4885NPSR1 2034/4885
US-20140248268-A1 Rab7 GTPase Inhibitors and Related Methods of Treatment RAB7A, RAB5B, RAB1A ALDH1A1 4235/4885GAA 213/4885NPSR1 4876/4885
US-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER RNASE1, DCLRE1B, FEN1 ALDH1A1 1675/4885GAA 1504/4885NPSR1 4591/4885
US-10457643-B2 (−)-huperzine A processes and related compositions and methods of treatment CHRNA5, HTR2A, GRIK5 ALDH1A1 341/4885GAA 370/4885NPSR1 1834/4885
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 ALDH1A1 3117/4885GAA 773/4885NPSR1 3904/4885
US-12134602-B2 (−)-huperzine A processes and related compositions and methods of treatment CHRNA5, HTR2A, GRIK5 ALDH1A1 341/4885GAA 370/4885NPSR1 1834/4885
US-20200109118-A1 (--)-HUPERZINE A PROCESSES AND RELATED COMPOSITIONS AND METHODS OF TREATMENT CHRNA5, HTR2A, HTT ALDH1A1 316/4885GAA 333/4885NPSR1 2034/4885
US-20220064123-A1 (--)-Huperzine A Processes and Related Compositions and Methods of Treatment CHRNA5, HTR2A, HTT ALDH1A1 316/4885GAA 333/4885NPSR1 2034/4885

“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.