SCHEMBL17543604

SCHEMBL17543604

CC(C)Oc1ccc(N2CCC3(CC2)OCCO3)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
POLB P06746 2/20 0.40
LGMN Q99538 1/20 0.39
ALDH1A1 P00352 4/20 0.39
FFAR4 Q5NUL3 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A9 P48067 1/20 0.37
KDM1A O60341 1/20 0.37
ACACB O00763 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL17544130 0.88 LGMN (0.40) HPGDPOLBLGMNALDH1A1FFAR4
SCHEMBL17543502 0.86 CA1 (0.39) POLBALDH1A1FFAR4GAASMN1; SMN2
SCHEMBL17543650 0.85 POLB (0.48) HPGDPOLBLGMNALDH1A1KMT2A
SCHEMBL17543962 0.82 ALDH1A1 (0.50) HPGDPOLBLGMNALDH1A1KMT2A
SCHEMBL17543624 0.81 FFAR4 (0.45) LGMNFFAR4NPC1RAB9A
SCHEMBL17542892 0.80 ALDH1A1 (0.43) HPGDLGMNALDH1A1GAASMN1; SMN2
SCHEMBL17543430 0.80 ACACB (0.43) HPGDLGMNALDH1A1GAASMN1; SMN2
SCHEMBL17543475 0.79 ACACB (0.45) POLBLGMNALDH1A1FFAR4KDM1A
SCHEMBL17543464 0.79 HRH3 (0.40) LGMNALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL24880834 0.78 ALDH1A1 (0.46) HPGDLGMNALDH1A1KMT2AGAA

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 HPGD 2746/4885POLB 384/4885LGMN 2660/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD HPGD 2746/4885POLB 384/4885LGMN 2660/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD HPGD 2746/4885POLB 384/4885LGMN 2660/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD HPGD 2746/4885POLB 384/4885LGMN 2660/4885

“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.