SCHEMBL17543201

SCHEMBL17543201

COc1ccc(CN2C(=O)CCc3c(OCC4(N=C=O)CCN(c5ccc(C(F)(F)F)cc5Cl)CC4)ccc(F)c32)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRPK1 Q96SB4 1/20 0.33
▸ PARP1 P09874 1/20 0.32
▸ NPBWR1 P48145 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ MC4R P32245 2/20 0.31
▸ CACNA1G O43497 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ CHRM5 P08912 3/20 0.31
▸ MRGPRX4 Q96LA9 3/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 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
SCHEMBL17542907 0.95 DDB1 (0.32) SRPK1DRD2DRD4DRD3MC4R
SCHEMBL17543492 0.90 PTGDR2 (0.33) CHRM5MEN1KMT2ATP53MAPT
SCHEMBL17543877 0.89 DDB1 (0.39) DRD2MEN1KMT2ALMNATP53
SCHEMBL17543581 0.89 MEN1 (0.32) CHRM5MEN1KMT2ATP53MAPT
SCHEMBL17542796 0.88 ALDH1A1 (0.33) CHRM5MEN1KMT2ALMNATP53
SCHEMBL17543127 0.88 NPBWR1 (0.35) SRPK1PARP1NPBWR1DRD2DRD4
SCHEMBL17543512 0.88 PTGDR2 (0.33) CHRM5MEN1KMT2ATP53MAPT
SCHEMBL17542978 0.87 PTGDR2 (0.34) DRD2DRD4CHRM5MEN1KMT2A
SCHEMBL17543175 0.86 KCNH2 (0.39) SRPK1MC4RCACNA1GKCNH2FFAR4
SCHEMBL17542636 0.85 CHRM5 (0.31) CHRM5MEN1KMT2ATP53MAPT

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 SRPK1 4538/4885PARP1 4433/4885NPBWR1 2111/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD SRPK1 4538/4885PARP1 4433/4885NPBWR1 2111/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD SRPK1 4538/4885PARP1 4433/4885NPBWR1 2111/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD SRPK1 4538/4885PARP1 4433/4885NPBWR1 2111/4885

“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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