SCHEMBL16100862

SCHEMBL16100862

CC(C)CCn1cc(O)cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.44
KDM5B Q9UGL1 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 2/20 0.36
SYK P43405 1/20 0.35
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
SORT1 Q99523 1/20 0.33
GAA P10253 1/20 0.32
RPS6KA2 Q15349 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
SCHEMBL11093633 0.80 ACHE (0.53) NAMPTKDM5BPRMT5WDR77ACHE
SCHEMBL2735687 0.78 NAMPT (0.42) NAMPTKDM5BPRMT5WDR77L3MBTL1
SCHEMBL10100353 0.78 NAMPT (0.42) NAMPTKDM5BPRMT5WDR77L3MBTL1
SCHEMBL16101449 0.78
SCHEMBL19122813 0.77 NAMPT (0.41) NAMPTKDM5BPRMT5WDR77L3MBTL1
SCHEMBL16705409 0.77 NAMPT (0.41) NAMPTKDM5BPRMT5WDR77L3MBTL1
SCHEMBL1703139 0.77 MAPT (0.41) NAMPTKDM5BPRMT5WDR77L3MBTL1
SCHEMBL14077265 0.77 NAMPT (0.41) NAMPTKDM5BPRMT5WDR77L3MBTL1
SCHEMBL1128873 0.77 NAMPT (0.41) NAMPTKDM5BPRMT5WDR77L3MBTL1
SCHEMBL24973097 0.76 NAMPT (0.40) NAMPTKDM5BPRMT5WDR77L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
US-20180319793-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-11-08 US disclosed
US-9994562-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-06-12 US disclosed
EP-2970211-B1 HISTONE DEMETHYLASE INHIBITORS QUANTICEL PHARMACEUTICALS INC (US) 2017-07-26 EP disclosed
CN-105517553-A Pyrazolo[1,5-a]pyrimidine-based compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS INC 2016-04-20 CN disclosed
US-20160039808-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC 2016-02-11 US disclosed
EP-2970211-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals Inc (US) 2016-01-20 EP disclosed
WO-2014151106-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-25 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-20180319793-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C NAMPT 1020/4885KDM5B 6/4885PRMT5 75/4885
US-20160039808-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C NAMPT 1020/4885KDM5B 6/4885PRMT5 75/4885
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B NAMPT 1836/4885KDM5B 4658/4885PRMT5 3452/4885

“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.