SCHEMBL1829324

SCHEMBL1829324

COC(=O)C(C)O[C@@H]1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.32
PTGER4 P35408 1/20 0.32
CA14 Q9ULX7 1/20 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
SCHEMBL2380760 1.00 SLC6A3 (0.43) SLC6A3MEN1KMT2AHTTTSHR
SCHEMBL4735100 1.00 SLC6A3 (0.43) SLC6A3MEN1KMT2AHTTTSHR
SCHEMBL2380756 1.00 SLC6A3 (0.43) SLC6A3MEN1KMT2AHTTTSHR
SCHEMBL8632556 0.85 SLC6A3 (0.44) SLC6A3MEN1KMT2AHTTTSHR
SCHEMBL27328368 0.84 MEN1 (0.35) SLC6A3MEN1KMT2ATSHRHPGD
SCHEMBL8979396 0.84 ALDH1A1 (0.39) SLC6A3MEN1KMT2AHTTTSHR
SCHEMBL20695650 0.84 HPGD (0.35) SLC6A3MEN1KMT2ATSHRHPGD
SCHEMBL9044976 0.84 ALDH1A1 (0.39) SLC6A3MEN1KMT2AHTTTSHR
SCHEMBL19411314 0.84 HPGD (0.35) SLC6A3MEN1KMT2ATSHRHPGD
SCHEMBL29198506 0.84 ALDH1A1 (0.39) SLC6A3MEN1KMT2AHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450354-B2 Substituted imidazo[1,2-b]pyridazine derivatives, pharmaceutical compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-05-28 US disclosed
EP-2549874-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS High Point Pharmaceuticals, LLC (US) 2013-01-30 EP disclosed
WO-2011119465-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2011-09-29 WO disclosed
US-20110237570-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2011-09-29 US disclosed
EP-1647551-B1 OPTICALLY ACTIVE HALOHYDRIN DERIVATIVE AND PROCESS FOR PRODUCING OPTICALLY ACTIVE EPOXY ALCOHOL DERIVATIVE FROM THE SAME KANEKA CORP (JP) 2011-05-04 EP disclosed
US-5578593-A RELEASING GROWTH HORMONES FOR ANIMALS MERCK & CO., INC. (US) 1996-11-26 US disclosed
EP-0322815-B1 Propoxybenzene derivatives and process for preparing the same DAIICHI SEIYAKU CO (JP) 1996-05-15 EP disclosed
WO-1994019367-A1 SPIRO PIPERIDINES AND HOMOLOGS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-09-01 WO disclosed
US-5312999-A Propoxybenzene derivatives and process for preparing the same DAIICHI SEIYAKU CO., LTD. (JP) 1994-05-17 US disclosed
US-5136059-A PROPOXYBENZENE DERIVATIVES AND PROCESS FOR PREPARING THE SAME DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-08-04 US disclosed
EP-0322815-A2 Propoxybenzene derivatives and process for preparing the same DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP 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 (1 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-20110237570-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS BACE1, BACE2, PSEN1 SLC6A3 3321/4885MEN1 2801/4885KMT2A 3403/4885

“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.