SCHEMBL17543877

SCHEMBL17543877

COc1ccc(CN2C(=O)CCc3c(OCC4(N=C=O)CCN(c5ccc(F)cc5F)CC4)ccc(F)c32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 5/20 0.39
▸ CRBN Q96SW2 5/20 0.39
▸ HTR1A P08908 3/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ ADRA1D P25100 3/20 0.34
▸ ADRA1A P35348 3/20 0.34
▸ ADRA1B P35368 3/20 0.34
▸ IKZF3 Q9UKT9 3/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GPR6 P46095 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 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
SCHEMBL17542796 0.94 ALDH1A1 (0.33) DDB1CRBNTP53THRBSMN1; SMN2
SCHEMBL17543581 0.93 MEN1 (0.32) DDB1CRBNTP53THRBSMN1; SMN2
SCHEMBL17542907 0.92 DDB1 (0.32) DDB1CRBNHTR1ADRD2TP53
SCHEMBL17543512 0.90 PTGDR2 (0.33) DDB1CRBNHTR1AHTR7ADRA1B
SCHEMBL17543201 0.89 SRPK1 (0.33) DRD2TP53MAPTLMNAMEN1
SCHEMBL17543492 0.89 PTGDR2 (0.33) HTR1AHTR7TP53THRBMAPT
SCHEMBL17543504 0.88 HTR1A (0.33) DDB1CRBNHTR1AHTR7TP53
SCHEMBL17543610 0.87 DDB1 (0.39) DDB1CRBNHTR1AHTR7HTR6
SCHEMBL17542636 0.86 CHRM5 (0.31) HTR1AHTR7TP53THRBMAPT
SCHEMBL17542978 0.85 PTGDR2 (0.34) CRBNHTR1AADRA1BIKZF3DRD2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106795117-B Heterobicyclic compounds and their use for the treatment of tuberculosis 大塚制药株式会社 2020-06-26 — — CN disclosed
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-11-05 — — US disclosed
EP-3186240-B1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2019-06-12 — — EP disclosed
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-11-01 — — US disclosed
US-10053446-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-08-21 — — US disclosed
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-09-07 — — US disclosed
EP-3186240-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS Otsuka Pharmaceutical Co., Ltd. (JP) 2017-07-05 — — EP disclosed
WO-2016031255-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-03-03 — — 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 (4 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-10053446-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD DDB1 879/4885CRBN 4471/4885HTR1A 4686/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD DDB1 879/4885CRBN 4471/4885HTR1A 4686/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD DDB1 879/4885CRBN 4471/4885HTR1A 4686/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD DDB1 879/4885CRBN 4471/4885HTR1A 4686/4885

“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.

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