SCHEMBL17543177

SCHEMBL17543177

CCOCc1ccc(N2CCC3(CC2)CO3)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
GRM5 P41594 3/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
MAPT P10636 7/20 0.36
FFAR4 Q5NUL3 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HPGD P15428 4/20 0.34
NPC1 O15118 4/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTR6 P50406 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NISCH Q9Y2I1 1/20 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
SCHEMBL17543253 0.86 L3MBTL1 (0.38) L3MBTL1GRM5MAPTALDH1A1HPGD
SCHEMBL17542861 0.80 ACACB (0.43) L3MBTL1PDE3BPDE3AMAPTALDH1A1
SCHEMBL8257736 0.79 HTR6 (0.52) L3MBTL1HTR6
SCHEMBL17543098 0.78 ALDH1A1 (0.49) L3MBTL1GRM5MAPTFFAR4ALDH1A1
SCHEMBL17543670 0.75 ADRA1B (0.43) L3MBTL1GRM5PDE3BPDE3AALDH1A1
SCHEMBL17543546 0.75 ACACB (0.39) L3MBTL1PDE3BPDE3AMAPTALDH1A1
SCHEMBL17544131 0.75 ACACB (0.44) L3MBTL1PDE3BPDE3AMAPTALDH1A1
SCHEMBL17543609 0.75 HTR3E (0.41) PDE3BPDE3AFFAR4TSHRLMNA
SCHEMBL17543482 0.73 ALDH1A1 (0.38) L3MBTL1PDE3BPDE3AMAPTFFAR4
SCHEMBL17543136 0.73 PRMT5 (0.42) GRM5PDE3BPDE3AALDH1A1HPGD

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 L3MBTL1 1211/4885GRM5 2762/4885PDE3B 3735/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD L3MBTL1 1211/4885GRM5 2762/4885PDE3B 3735/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD L3MBTL1 1211/4885GRM5 2762/4885PDE3B 3735/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD L3MBTL1 1211/4885GRM5 2762/4885PDE3B 3735/4885

“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.