SCHEMBL17543333

SCHEMBL17543333

COc1cc(N2CCC3(CC2)CO3)c(F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 2/20 0.45
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FFAR4 Q5NUL3 2/20 0.39
ALK Q9UM73 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 2/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
CCR6 P51684 1/20 0.35
CACNA1B Q00975 1/20 0.35

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
SCHEMBL17543661 0.87 FFAR4 (0.46) ALDH1A1TSHRFFAR4ALKSLC6A2
SCHEMBL17543434 0.86 PPOX (0.47) PPOXALDH1A1FFAR4ALKSLC6A2
SCHEMBL17542810 0.86 PPOX (0.47) PPOXALDH1A1TSHRFFAR4SLC6A2
SCHEMBL17542792 0.85 POLB (0.44) PPOXALDH1A1SMN1; SMN2FFAR4ALK
SCHEMBL17543013 0.84 FFAR4 (0.40) PPOXALDH1A1SMN1; SMN2FFAR4SLC6A2
SCHEMBL17543218 0.84 PPOX (0.49) PPOXSMN1; SMN2TSHRTP53ALK
SCHEMBL17543463 0.83 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2TSHRHSD17B10FFAR4
SCHEMBL17543443 0.82 PPOX (0.38) PPOXALDH1A1TSHRHSD17B10ALK
SCHEMBL17543002 0.82 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TSHRSLC6A2SLC6A4
SCHEMBL17543413 0.81 SLC6A2 (0.37) PPOXFFAR4SLC6A2SLC6A4SLC6A3

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 6 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
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 (3 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 PPOX 3110/4885ALDH1A1 1458/4885LMNA 3108/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD PPOX 3110/4885ALDH1A1 1458/4885LMNA 3108/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PPOX 3110/4885ALDH1A1 1458/4885LMNA 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.