SCHEMBL72977

SCHEMBL72977

O=COCOC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ADH1B P00325 2/20 0.31
ADH1C P00326 2/20 0.31
ADH1A P07327 2/20 0.31
ADH4 P08319 2/20 0.31
HPGD P15428 1/20 0.31
ADH7 P40394 1/20 0.31
EPHX1 P07099 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
SCHEMBL11909720 1.00 NPC1 (0.38) NPC1CA1CA2ADH1BADH1C
SCHEMBL9035182 1.00 NPC1 (0.38) NPC1CA1CA2ADH1BADH1C
SCHEMBL6987461 0.98 NPC1 (0.34) NPC1
SCHEMBL9036075 0.88
SCHEMBL4952178 0.82 NPC1 (0.34) NPC1HPGD
SCHEMBL73235 0.80 NPC1 (0.45) NPC1CA1CA2ADH1BADH1C
SCHEMBL8802672 0.80 NPC1 (0.45) NPC1CA1CA2ADH1BADH1C
SCHEMBL25700953 0.78 SLC6A2 (0.33)
SCHEMBL112607 0.78
SCHEMBL9517342 0.77 NPC1 (0.48) NPC1CA1CA2HPGDEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915843-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSES SMITHKLINE BEECHAM PLC (GB) 1999-05-19 EP claimed
WO-1997041098-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO claimed
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed
US-20240199543-A1 Aza-Substituted Psilocin Analogs And Methods Of Synthesizing The Same MYDECINE INNOVATIONS GROUP INC. 2024-06-20 US disclosed
US-20240197679-A1 NOVEL SHORT-ACTING PSYCHOACTIVE COMPOUNDS OF THE MDMA CLASS Altrartis Therapeutics Inc. 2024-06-20 US disclosed
US-20240199607-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2024-06-20 US disclosed
EP-4370114-A2 NOVEL SHORT-ACTING PSYCHOACTIVE COMPOUNDS OF THE MDMA CLASS Mydecine Innovations Group Inc. (US) 2024-05-22 EP disclosed
US-20240158443-A1 Compositions And Methods of Synthesizing Shape Shifting Cyclic Peptides (Sscp) And Their Use in The Identification of Novel Therapeutic Compounds UNIV COLORADO REGENTS (US) 2024-05-16 US disclosed
US-11952342-B2 Aza-substituted psilocin analogs and methods of synthesizing the same MYDECINE INNOVATIONS GROUP INC. (US) 2024-04-09 US disclosed
CN-117813121-A Biphosphine compounds and complexes 癌症研究技术有限公司 2024-04-02 CN disclosed
US-20240101513-A1 Novel Aza-Substituted Psilocin Analogs And Methods Of Synthesizing The Same MYDECINE INNOVATIONS GROUP INC. 2024-03-28 US disclosed
US-6107299-A INSECTICIDES; MITICIDES HOECHST SCHERING AGREVO GMBH (DE) 2000-08-22 US disclosed
WO-2000010980-A1 PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2000-03-02 WO disclosed
WO-1999059979-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 1999-11-25 WO disclosed
WO-1999059978-A1 SUBSTITUTED NITROGEN HETEROCYCLES AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 1999-11-25 WO disclosed
EP-0915843-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSES SMITHKLINE BEECHAM PLC (GB) 1999-05-19 EP disclosed
US-5859009-A Substituted spiroalkylamino and alkoxy heterocycles, processes for their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1999-01-12 US disclosed
EP-0869943-A1 MONOCYCLIC BETA-LACTAME DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-10-14 EP disclosed
WO-1997041098-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO disclosed
WO-1997021675-A1 MONOCYCLIC BETA-LACTAME DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-06-19 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 (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-20240101513-A1 Novel Aza-Substituted Psilocin Analogs And Methods Of Synthesizing The Same TOP2A, PAICS, TOP1 NPC1 350/4885CA1 4236/4885CA2 4873/4885
US-20240197679-A1 NOVEL SHORT-ACTING PSYCHOACTIVE COMPOUNDS OF THE MDMA CLASS PNMT, HTR2C, SLC18A2 NPC1 3067/4885CA1 4486/4885CA2 4803/4885
US-11952342-B2 Aza-substituted psilocin analogs and methods of synthesizing the same TOP2A, PAICS, TOP1 NPC1 558/4885CA1 4057/4885CA2 4859/4885
US-20240158443-A1 Compositions And Methods of Synthesizing Shape Shifting Cyclic Peptides (Sscp) And Their Use in The Identification of Novel Therapeutic Compounds VIP, PTMS, QPCT NPC1 4746/4885CA1 1589/4885CA2 1206/4885
US-20240199607-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 NPC1 1060/4885CA1 2764/4885CA2 2663/4885
US-20240199543-A1 Aza-Substituted Psilocin Analogs And Methods Of Synthesizing The Same TOP2A, PAICS, TOP1 NPC1 558/4885CA1 4057/4885CA2 4859/4885

“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.