SCHEMBL17543136

SCHEMBL17543136

Fc1cc(OCc2ccccc2)ccc1N1CCC2(CC1)CO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
GRM5 P41594 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
ALOX5 P09917 1/20 0.40
NME2 P22392 1/20 0.40
S1PR5 Q9H228 2/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL17542692 0.87 GRIN1 (0.48) PRMT5GRM5HRH3MAOBMAOA
SCHEMBL17542861 0.83 ACACB (0.43) NPC1RAB9APDE3BPDE3AKDM4E
SCHEMBL25846133 0.82 HRH3 (0.49) GRM5HRH3MAOBMAOAALOX5
SCHEMBL17543960 0.81 PDE3B (0.36) HRH3PDE3BPDE3AALDH1A1LMNA
SCHEMBL17544146 0.81 FFAR4 (0.39) HRH3PDE3BPDE3AALDH1A1LMNA
SCHEMBL17543546 0.81 ACACB (0.39) HRH3NPC1RAB9APDE3BPDE3A
SCHEMBL17544131 0.81 ACACB (0.44) NPC1RAB9APDE3BPDE3AALDH1A1
SCHEMBL8226269 0.80 HTR1A (0.59) PRMT5HRH3
SCHEMBL737235 0.80 MAPT (0.49) PRMT5HRH3MAOBMAOANPC1
SCHEMBL17543182 0.80 ACACB (0.46) HRH3PDE3BPDE3AALDH1A1LMNA

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 PRMT5 1404/4885GRM5 2762/4885HRH3 3746/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD PRMT5 1404/4885GRM5 2762/4885HRH3 3746/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PRMT5 1404/4885GRM5 2762/4885HRH3 3746/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PRMT5 1404/4885GRM5 2762/4885HRH3 3746/4885

“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.