Sugi Predict

Sugi Predict / Compounds / SCHEMBL1768008

SCHEMBL1768008

SCHEMBL1768008

COCOCc1cc(Br)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.40
▸ HTR2A P28223 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ CCR5 P51681 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL1767659 0.87 HPGD (0.43) HPGDHTR2ASLC6A4KCNH2CCR5
SCHEMBL2870657 0.85 HPGD (0.44) HPGDHTR2ASLC6A4KCNH2CCR5
SCHEMBL30622246 0.85 HPGD (0.44) HPGDHTR2ASLC6A4KCNH2CCR5
SCHEMBL28034244 0.85 SLC6A4 (0.41) HPGDHTR2ASLC6A4KCNH2CCR5
SCHEMBL30489388 0.82 HTR2A (0.40) HPGDHTR2ASLC6A4KCNH2CCR5
SCHEMBL15335375 0.77 — —
SCHEMBL2705757 0.77 PYCR1 (0.41) ALDH1A1KDM4ETDP1MEN1USP2
SCHEMBL29442727 0.76 DHODH (0.44) HTR2ASLC6A4KCNH2CCR5ALDH1A1
SCHEMBL18322528 0.76 DHODH (0.44) HTR2ASLC6A4KCNH2CCR5ALDH1A1
SCHEMBL12407963 0.76 HPGD (0.36) HPGDHTR2ASLC6A4KCNH2CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2963043-B1 TETRAHYDROIMIDAZO[1,5-D][1,4]OXAZEPINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2018-05-30 — — EP disclosed
EP-2963043-B1 TETRAHYDROIMIDAZO[1,5-D][1,4]OXAZEPINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2018-05-30 — — EP disclosed
US-9458176-B2 Tetrahydroimidazo(1,5-D)[1,4]oxazepine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-10-04 — — US disclosed
US-9458176-B2 Tetrahydroimidazo(1,5-D)[1,4]oxazepine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-10-04 — — US disclosed
US-9458176-B2 Tetrahydroimidazo(1,5-D)[1,4]oxazepine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-10-04 — — US disclosed
US-9439901-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2016-09-13 — — US disclosed
US-9439902-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2016-09-13 — — US disclosed
US-9308204-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2016-04-12 — — US disclosed
EP-2963043-A1 TETRAHYDROIMIDAZO[1,5-D][1,4]OXAZEPINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2016-01-06 — — EP disclosed
EP-2963043-A1 TETRAHYDROIMIDAZO[1,5-D][1,4]OXAZEPINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2016-01-06 — — EP disclosed
EP-2496583-B1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER (US) 2014-12-10 — — EP disclosed
WO-2014133022-A1 TETRAHYDROIMIDAZO[1,5-D][1,4]OXAZEPINE DERIVATIVE エーザイ・アール・アンド・ディー・マネジメント株式会社 (JP) 2014-09-04 — — WO disclosed
US-20140243316-A1 Tetrahydroimidazo(1,5-D)[1,4]Oxazepine Derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-08-28 — — US disclosed
US-20140243316-A1 Tetrahydroimidazo(1,5-D)[1,4]Oxazepine Derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-08-28 — — US disclosed
US-20140243316-A1 Tetrahydroimidazo(1,5-D)[1,4]Oxazepine Derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-08-28 — — US disclosed
US-8669380-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2014-03-11 — — US disclosed
US-20130225487-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2013-08-29 — — US disclosed
EP-2496583-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES Pfizer Inc. (US) 2012-09-12 — — EP disclosed
US-20120184486-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. 2012-07-19 — — US disclosed
WO-2011051864-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2011-05-05 — — 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 (3 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-20120184486-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES SLC5A2, SLC5A1, SLC2A2 HPGD 2129/4885HTR2A 860/4885SLC6A4 82/4885
US-20130225487-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES SLC5A2, SLC5A1, SLC2A2 HPGD 2129/4885HTR2A 860/4885SLC6A4 82/4885
US-20140243316-A1 Tetrahydroimidazo(1,5-D)[1,4]Oxazepine Derivative GRM2, GRM1, GRIA2 HPGD 1779/4885HTR2A 134/4885SLC6A4 285/4885

“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.