SCHEMBL17543307

SCHEMBL17543307

COC1(c2ccc(Cl)cc2F)CCC2(CC1)OCCO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 4/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
POLB P06746 2/20 0.33
FLT3 P36888 1/20 0.33
AVPR1A P37288 1/20 0.33
MAPT P10636 3/20 0.33
TP53 P04637 1/20 0.33
BACE1 P56817 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
MAP3K14 Q99558 1/20 0.33
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL17543119 0.84 BACE1 (0.36) ALDH1A1BACE1MAP3K14SMN1; SMN2ALOX5
SCHEMBL17543118 0.84 BACE1 (0.36) ALDH1A1BACE1MAP3K14SMN1; SMN2ALOX5
SCHEMBL17543986 0.80 ALDH1A1 (0.38) ALDH1A1LMNAPOLBMAPTUSP2
SCHEMBL17543131 0.78 ATM (0.39) ATMALDH1A1GAANPC1RAB9A
SCHEMBL17543748 0.77 POLB (0.31) POLB
SCHEMBL17543803 0.77 PSEN1 (0.41) ALDH1A1SLC6A4POLBALOX5
SCHEMBL17542851 0.77 MAP3K14 (0.35) SLC6A4SLC6A3MAP3K14
SCHEMBL29924946 0.71 ICMT (0.38) ALDH1A1SLC6A4SLC6A3POLBBACE1
SCHEMBL9035464 0.70 DRD2 (0.38) ALDH1A1NPC1RAB9ALMNASLC6A4
SCHEMBL24186494 0.67 BACE1 (0.39) BACE1

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 ATM 3972/4885ALDH1A1 1458/4885GAA 687/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD ATM 3972/4885ALDH1A1 1458/4885GAA 687/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD ATM 3972/4885ALDH1A1 1458/4885GAA 687/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD ATM 3972/4885ALDH1A1 1458/4885GAA 687/4885

“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.