SCHEMBL17543764

SCHEMBL17543764

OC1CN(c2ccc(F)cc2)CCC12CO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.38
▸ MAPT P10636 4/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36

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
SCHEMBL17543099 1.00 NOTUM (0.43) NOTUMALDH1A1MAPTMAPK1TDP1
SCHEMBL19301966 0.84 USP2 (0.42) NOTUMALDH1A1MAPK1LMNATSHR
SCHEMBL17543411 0.72 FFAR4 (0.34) —
SCHEMBL17543704 0.72 — —
SCHEMBL17542695 0.72 FFAR4 (0.34) —
SCHEMBL17543181 0.72 — —
SCHEMBL17542888 0.72 ALDH1A1 (0.37) ALDH1A1MAPTHTTLMNAKDM4E
SCHEMBL17542889 0.72 ALDH1A1 (0.37) ALDH1A1MAPTHTTLMNAKDM4E
SCHEMBL17542993 0.72 KMT2A (0.37) NOTUMALDH1A1MAPTTSHRNPC1
SCHEMBL17543920 0.72 KMT2A (0.37) NOTUMALDH1A1MAPTTSHRNPC1

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
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 NOTUM 1610/4885ALDH1A1 1458/4885MAPT 1813/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD NOTUM 1610/4885ALDH1A1 1458/4885MAPT 1813/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD NOTUM 1610/4885ALDH1A1 1458/4885MAPT 1813/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD NOTUM 1610/4885ALDH1A1 1458/4885MAPT 1813/4885

“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.

Send feedback