SCHEMBL6715530

SCHEMBL6715530

O=[C]OCc1cc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.53
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
AHR P35869 1/20 0.43
NLRP3 Q96P20 1/20 0.43
OPRK1 P41145 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
CHEK1 O14757 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
CYP2A6 P11509 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
AOC3 Q16853 1/20 0.40

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
SCHEMBL347687 0.77 LOXL2 (0.58) LOXL2MTNR1AMTNR1BHRH3AHR
SCHEMBL2111019 0.77 LOXL2 (0.58) LOXL2MTNR1AMTNR1BHRH3AHR
SCHEMBL4384511 0.77 LOXL2 (0.63) LOXL2MTNR1AMTNR1BHRH3AHR
SCHEMBL28886053 0.77 LOXL2 (0.58) LOXL2MTNR1AMTNR1BHRH3AHR
SCHEMBL15662691 0.77 LOXL2 (0.58) LOXL2MTNR1AMTNR1BHRH3AHR
SCHEMBL28812467 0.76 LOXL2 (0.53) LOXL2MTNR1AMTNR1BHRH3AHR
SCHEMBL4280580 0.75 LOXL2 (0.56) LOXL2MTNR1AMTNR1BHRH3AHR
SCHEMBL1160528 0.74 LOXL2 (0.55) LOXL2MTNR1AMTNR1BHRH3AHR
SCHEMBL2986028 0.74 LOXL2 (0.55) LOXL2HRH3AHR
SCHEMBL3022232 0.74 LOXL2 (0.64) LOXL2MTNR1AMTNR1BHRH3AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115093408-A Benzylamine-containing 5, 6-heteroaromatic compounds useful against mycobacterial infections 盐野义制药株式会社 2022-09-23 CN disclosed
EP-3412663-B1 NITROGEN-CONTAINING HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2022-09-07 EP disclosed
US-20220235047-A1 A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME bc1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN AND CLOFAZIMINE SHIONOGI & CO., LTD. (JP) 2022-07-28 US disclosed
EP-4028130-A1 BENZYL AMINE-CONTAINING 5,6-HETEROAROMATIC COMPOUNDS USEFUL AGAINST MYCOBACTERIAL INFECTION Shionogi & Co., Ltd (JP) 2022-07-20 EP disclosed
WO-2022119899-A1 A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME BC1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN SHIONOGI & CO., LTD. (JP) 2022-06-09 WO disclosed
CN-114401965-A Benzylamine-containing 5, 6-heteroaromatic compounds useful against mycobacterial infections 盐野义制药株式会社 2022-04-26 CN disclosed
EP-3976031-A1 A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME BC1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN AND CLOFAZIMINE Shionogi & Co., Ltd (JP) 2022-04-06 EP disclosed
EP-3330256-B1 HETEROCYCLIC DERIVATIVE HAVING TrkA-INHIBITING ACTIVITY SHIONOGI & CO (JP) 2021-06-16 EP disclosed
US-11008320-B2 Nitrogen-containing heterocycle and carbocycle derivatives having TrkA inhibitory activity SHIONOGI & CO., LTD. (JP) 2021-05-18 US disclosed
WO-2021050708-A1 BENZYL AMINE-CONTAINING 5,6-HETEROAROMATIC COMPOUNDS USEFUL AGAINST MYCOBACTERIAL INFECTION SHIONOGI & CO., LTD. (JP) 2021-03-18 WO disclosed
US-20150038483-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2015-02-05 US disclosed
EP-2832731-A1 AROMATIC HETEROCYCLIC FIVE-MEMBERED RING DERIVATIVE HAVING TRPV4 INHIBITORY ACTIVITY Shionogi & Co., Ltd. (JP) 2015-02-04 EP disclosed
US-20140275074-A1 HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-09-18 US disclosed
US-20140249306-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2014-09-04 US disclosed
EP-2772480-A1 HIV REPLICATION INHIBITOR Shionogi & Co., Ltd. (JP) 2014-09-03 EP disclosed
EP-2752410-A1 HETEROCYCLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY Shionogi & Co., Ltd. (JP) 2014-07-09 EP disclosed
WO-2014065434-A1 DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-05-01 WO disclosed
US-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria HOKURIKU SEIYAKU CO., LTD. (JP) 2004-07-01 US disclosed
EP-1323726-A1 ERYTHROMYCIN DERIVATIVES AND MEDICINES CONTAINING THE SAME HOKURIKU SEIYAKU CO., LTD. (JP) 2003-07-02 EP disclosed
EP-1167375-A1 ERYTHROMYCIN DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2002-01-02 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 (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-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria MAPRE1, MAPRE2, MRPS27 LOXL2 1938/4885MTNR1A 2727/4885MTNR1B 2634/4885
US-20140275074-A1 HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY PTGDR, PTGDR2, PTGER4 LOXL2 2032/4885MTNR1A 197/4885MTNR1B 76/4885
US-20220235047-A1 A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME bc1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN AND CLOFAZIMINE CYC1, MT-CO1, ABCB11 LOXL2 4816/4885MTNR1A 1154/4885MTNR1B 1117/4885
US-20140249306-A1 HIV REPLICATION INHIBITOR SSU72, RTF2, ZC3HAV1 LOXL2 3884/4885MTNR1A 3021/4885MTNR1B 3168/4885
US-20150038483-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY TRPV4, TRPC4, TRPV2 LOXL2 1843/4885MTNR1A 750/4885MTNR1B 402/4885
US-11008320-B2 Nitrogen-containing heterocycle and carbocycle derivatives having TrkA inhibitory activity NTRK2, NTRK3, NTRK1 LOXL2 3803/4885MTNR1A 117/4885MTNR1B 171/4885

“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.