SCHEMBL17544047

SCHEMBL17544047

CC(C)c1ccc(N2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.58
▸ LGMN Q99538 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.47
▸ LMNA P02545 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ MAPT P10636 4/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ ALOX12 P18054 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PANK3 Q9H999 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ THRB P10828 1/20 0.40

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
SCHEMBL17543143 0.81 MAPT (0.44) POLBALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL14117662 0.81 LGMN (0.54) LGMNALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1982163 0.81 LGMN (0.61) POLBLGMNALDH1A1LMNANPSR1
SCHEMBL5546662 0.81 POLB (0.55) POLBLGMNALDH1A1LMNANPSR1
SCHEMBL17543407 0.80 POLB (0.56) POLBLGMNALDH1A1LMNANPSR1
SCHEMBL26821255 0.79 HTR1A (0.39) POLBLGMNALDH1A1LMNANPSR1
SCHEMBL17660299 0.79 PANK3 (0.44) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL17661010 0.79 MAPT (0.44) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL2627852 0.78 ALDH1A1 (0.67) LGMNALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL20251137 0.78 MAPT (0.51) ALDH1A1LMNAHTTSMN1; SMN2MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 — — US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 — — US disclosed
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 (5 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A POLB 635/4885LGMN 4865/4885ALDH1A1 983/4885
US-10053446-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD POLB 384/4885LGMN 2660/4885ALDH1A1 1458/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD POLB 384/4885LGMN 2660/4885ALDH1A1 1458/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD POLB 384/4885LGMN 2660/4885ALDH1A1 1458/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD POLB 384/4885LGMN 2660/4885ALDH1A1 1458/4885

“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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