SCHEMBL17543407

SCHEMBL17543407

CC(C)c1ccc(N2CCC3(CC2)OCCO3)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.56
▸ CHRM1 P11229 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ LGMN Q99538 1/20 0.42
▸ HPGD P15428 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ TACR2 P21452 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ GAA P10253 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ HSD17B10 Q99714 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
SCHEMBL17543212 0.84 CHRM1 (0.42) POLBCHRM1PTGS1ALDH1A1LMNA
SCHEMBL14804169 0.81 LGMN (0.45) POLBNPSR1ALDH1A1LMNALGMN
SCHEMBL17544047 0.80 POLB (0.58) POLBNPSR1ALDH1A1LMNAHTT
SCHEMBL22296418 0.80 MAPT (0.58) POLBCHRM1PTGS1ALDH1A1LMNA
SCHEMBL17543363 0.78 LGMN (0.43) POLBALDH1A1LMNAHTTLGMN
SCHEMBL31312874 0.78 MAPT (0.64) POLBALDH1A1LMNAHTTLGMN
SCHEMBL854657 0.78 MAPT (0.64) POLBALDH1A1LMNAHTTLGMN
SCHEMBL17543054 0.77 SMN1; SMN2 (0.44) POLBALDH1A1LMNAHTTLGMN
SCHEMBL11215855 0.77 ALDH1A1 (0.56) POLBCHRM1PTGS1NPSR1ALDH1A1
SCHEMBL2739324 0.77 CHRM1 (0.68) POLBCHRM1PTGS1NPSR1ALDH1A1

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 6 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
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 (3 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 POLB 384/4885CHRM1 1424/4885PTGS1 3367/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD POLB 384/4885CHRM1 1424/4885PTGS1 3367/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD POLB 384/4885CHRM1 1424/4885PTGS1 3367/4885

“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.

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