SCHEMBL17543182

SCHEMBL17543182

COCCOc1ccc(N2CCC3(CC2)CO3)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.46
HRH3 Q9Y5N1 1/20 0.44
ADORA2A P29274 5/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
FFAR4 Q5NUL3 1/20 0.41
KDR P35968 2/20 0.38
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 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
SCHEMBL17544078 0.96 ACACB (0.44) ACACBHRH3ADORA2ACA1CA2
SCHEMBL17543546 0.89 ACACB (0.39) ACACBHRH3CA1CA2CA7
SCHEMBL17544131 0.89 ACACB (0.44) ACACBCA1CA2CA7CA9
SCHEMBL17543960 0.88 PDE3B (0.36) ACACBHRH3CA1CA2CA7
SCHEMBL17543475 0.87 ACACB (0.45) ACACBHRH3ADORA2ACA1CA2
SCHEMBL17542861 0.86 ACACB (0.43) ACACBCA1CA2CA7CA9
SCHEMBL17542719 0.86 HRH3 (0.39) HRH3FGFR1TNKSTNKS2
SCHEMBL17543609 0.84 HTR3E (0.41) ACACBFFAR4LMNAPDE3BPDE3A
SCHEMBL17543834 0.84 ACACB (0.43) ACACBHRH3ADORA2ACA1CA2
SCHEMBL17544146 0.81 FFAR4 (0.39) HRH3FFAR4ALDH1A1LMNASMN1; SMN2

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 ACACB 1155/4885HRH3 3746/4885ADORA2A 4061/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD ACACB 1155/4885HRH3 3746/4885ADORA2A 4061/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD ACACB 1155/4885HRH3 3746/4885ADORA2A 4061/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD ACACB 1155/4885HRH3 3746/4885ADORA2A 4061/4885

“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.