SCHEMBL15466110

SCHEMBL15466110

CC1CN(C(=O)C(Cl)Cl)C(C)(C)N2CCCC12

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL15310641 0.70 MEN1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL8429253 0.62 SMN1; SMN2 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL167473 0.62 SMN1; SMN2 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL9507715 0.62 MEN1 (0.30) ALDH1A1MEN1KMT2A
SCHEMBL8429251 0.62 SMN1; SMN2 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL9786754 0.61
SCHEMBL9786791 0.60
SCHEMBL11098170 0.60 MEN1 (0.30) ALDH1A1MEN1KMT2A
SCHEMBL9872524 0.60 MEN1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL11282748 0.59 DPP7 (0.46)

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-9204640-B2 2-acyloxy-pyrrolin-4-ones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 US disclosed
US-9000026-B2 Substituted 3-(biphenyl-3-yl)-8,8-difluoro-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-ones for therapy BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-07 US disclosed
US-8946124-B2 Substituted 3-(biphenyl-3-yl)-8,8-difluoro-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-ones for therapy and halogen-substituted spirocyclic ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-02-03 US disclosed
US-20140057790-A1 2-ACYLOXY-PYRROLIN-4-ONES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-02-27 US disclosed
US-20140045696-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-8,8-DIFLUORO-4-HYDROXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONES FOR THERAPY AND HALOGEN-SUBSTITUTED SPIROCYCLIC KETOENOLS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 US disclosed
US-20140011853-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-8,8-DIFLUORO-4-HYDROXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONES FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-09 US 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-20140045696-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-8,8-DIFLUORO-4-HYDROXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONES FOR THERAPY AND HALOGEN-SUBSTITUTED SPIROCYCLIC KETOENOLS DDT, PDHX, CYP8B1 ALDH1A1 1840/4885MEN1 3313/4885KMT2A 1115/4885
US-20140011853-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-8,8-DIFLUORO-4-HYDROXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONES FOR THERAPY DDT, PDHA1, KCNH1 ALDH1A1 2174/4885MEN1 3798/4885KMT2A 932/4885
US-20140057790-A1 2-ACYLOXY-PYRROLIN-4-ONES ATL3, PLCG2, PLCG1 ALDH1A1 4475/4885MEN1 4357/4885KMT2A 2455/4885

“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.