SCHEMBL9969601

SCHEMBL9969601

CC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.46
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
MMP9 P14780 1/20 0.44
BDKRB2 P30411 2/20 0.43
BACE1 P56817 2/20 0.43
TMEM97 Q5BJF2 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 1/20 0.41
BCHE P06276 3/20 0.41
PDPK1 O15530 1/20 0.39
MTOR P42345 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL8290842 1.00 AGTR2 (0.46) AGTR2CTSLCTSBCTSKMMP9
SCHEMBL14597374 1.00 AGTR2 (0.46) AGTR2CTSLCTSBCTSKMMP9
SCHEMBL23942920 0.90 AGTR2 (0.53) AGTR2CTSLCTSBCTSKMMP9
SCHEMBL26207194 0.90 AGTR2 (0.53) AGTR2CTSLCTSBCTSKMMP9
SCHEMBL24251891 0.86 MMP9 (0.45) AGTR2CTSLCTSBCTSKMMP9
SCHEMBL18544679 0.86 CTSL (0.44) AGTR2CTSLCTSBCTSKMMP9
SCHEMBL14628088 0.85 AGTR2 (0.46) AGTR2CTSLCTSBCTSKMMP9
SCHEMBL14627906 0.85 AGTR2 (0.46) AGTR2CTSLCTSBCTSKMMP9
SCHEMBL13979529 0.85 AGTR2 (0.48) AGTR2CTSLCTSBCTSKMMP9
SCHEMBL8290844 0.85 SLC6A2 (0.48) BDKRB2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-01-04 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 (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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 AGTR2 904/4885CTSL 38/4885CTSB 618/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 AGTR2 904/4885CTSL 38/4885CTSB 618/4885
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ACIN1, CYCS, CASP7 AGTR2 1954/4885CTSL 302/4885CTSB 231/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC AGTR2 2387/4885CTSL 6/4885CTSB 237/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 AGTR2 904/4885CTSL 38/4885CTSB 618/4885

“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.