SCHEMBL17543134

SCHEMBL17543134

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ BACE1 P56817 2/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ USP2 O75604 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ GALR2 O43603 1/20 0.36
▸ GALR1 P47211 1/20 0.36
▸ P2RX3 P56373 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GPR119 Q8TDV5 3/20 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
SCHEMBL17543884 0.91 KCNH2 (0.39) MAPTSMN1; SMN2KCNH2USP2CYP2C9
SCHEMBL17542883 0.90 KDM1A (0.38) MAPTSMN1; SMN2LMNABACE1KDM1A
SCHEMBL17543707 0.89 KDM1A (0.36) MAPTSMN1; SMN2LMNABACE1KDM1A
SCHEMBL17543284 0.88 LMNA (0.37) MAPTSMN1; SMN2LMNABACE1KDM1A
SCHEMBL17542653 0.88 KDM1A (0.37) MAPTSMN1; SMN2LMNABACE1KDM1A
SCHEMBL17543211 0.86 ALDH1A1 (0.42) MAPTLMNAALDH1A1KDM4EMEN1
SCHEMBL28413460 0.84 HTR6 (0.37) MAPTSMN1; SMN2LMNABACE1KDM1A
SCHEMBL28418218 0.84 HTR6 (0.37) MAPTSMN1; SMN2LMNABACE1KDM1A
SCHEMBL17543698 0.81 MEN1 (0.36) MAPTTSHRCYP2D6ALDH1A1KDM4E
SCHEMBL17543973 0.81 P2RX3 (0.39) MAPTSMN1; SMN2LMNAKDM1AGALR2

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 7 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
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 MAPT 1813/4885SMN1; SMN2 4767/4885LMNA 3108/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD MAPT 1813/4885SMN1; SMN2 4767/4885LMNA 3108/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD MAPT 1813/4885SMN1; SMN2 4767/4885LMNA 3108/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD MAPT 1813/4885SMN1; SMN2 4767/4885LMNA 3108/4885

“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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