SCHEMBL17543127

SCHEMBL17543127

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 2/20 0.35
▸ SRPK1 Q96SB4 1/20 0.35
▸ MC4R P32245 5/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ CHRM5 P08912 2/20 0.33
▸ TRAP1 Q12931 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL17542956 0.95 MC4R (0.35) NPBWR1SRPK1MC4RDRD2DRD4
SCHEMBL17543489 0.92 DDB1 (0.35) TRAP1MEN1KMT2A
SCHEMBL17543449 0.90 PTGDR2 (0.34) CHRM5TRAP1MEN1KMT2A
SCHEMBL17543175 0.89 KCNH2 (0.39) SRPK1MC4RFFAR4MRGPRX4MEN1
SCHEMBL17543201 0.88 SRPK1 (0.33) NPBWR1SRPK1MC4RPARP1DRD2
SCHEMBL17543610 0.88 DDB1 (0.39) DRD2MEN1KMT2A
SCHEMBL17542777 0.88 MEN1 (0.34) CHRM5TRAP1MEN1KMT2A
SCHEMBL17543064 0.87 ALDH1A1 (0.33) CHRM5MEN1KMT2A
SCHEMBL17544020 0.87 KMT2A (0.37) SRPK1MEN1KMT2A
SCHEMBL17542745 0.87 PTGDR2 (0.35) CHRM5TRAP1MEN1KMT2A

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 NPBWR1 2111/4885SRPK1 4538/4885MC4R 2929/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD NPBWR1 2111/4885SRPK1 4538/4885MC4R 2929/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD NPBWR1 2111/4885SRPK1 4538/4885MC4R 2929/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD NPBWR1 2111/4885SRPK1 4538/4885MC4R 2929/4885

“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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