SCHEMBL17543305

SCHEMBL17543305

FC(F)(F)c1cc(Cl)ccc1N1CCC2(CC1)CO2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 2/20 0.44
PDE3B Q13370 5/20 0.44
PDE3A Q14432 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HCAR1 Q9BXC0 1/20 0.40
NOTUM Q6P988 4/20 0.39
HSD11B1 P28845 1/20 0.38
RBP4 P02753 1/20 0.37

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
SCHEMBL17543711 0.82 SMN1; SMN2 (0.50) SMN1; SMN2MAPTNOTUM
SCHEMBL30116237 0.81 SMN1; SMN2 (0.43) PHGDHPDE3BPDE3ASMN1; SMN2
SCHEMBL17542884 0.81 SMN1; SMN2 (0.43) PHGDHPDE3BPDE3ASMN1; SMN2
SCHEMBL24680705 0.79 NOTUM (0.54) PHGDHPDE3BPDE3ASMN1; SMN2TP53
SCHEMBL17542882 0.78 SMN1; SMN2 (0.43) SMN1; SMN2MAPT
SCHEMBL17542945 0.78 AKR1C3 (0.50) SMN1; SMN2TP53MAPT
SCHEMBL17543646 0.77 SMN1; SMN2 (0.49) SMN1; SMN2NOTUM
SCHEMBL443520 0.76 HTR3A (0.51) PHGDHTP53HCAR1
SCHEMBL24681546 0.76 POLB (0.59) PHGDHPDE3BPDE3AMAPTHSD11B1
SCHEMBL17542688 0.73 SMN1; SMN2 (0.41) SMN1; SMN2TP53MAPT

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 PHGDH 734/4885PDE3B 3735/4885PDE3A 4192/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD PHGDH 734/4885PDE3B 3735/4885PDE3A 4192/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PHGDH 734/4885PDE3B 3735/4885PDE3A 4192/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PHGDH 734/4885PDE3B 3735/4885PDE3A 4192/4885

“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.