SCHEMBL666125

SCHEMBL666125

CCC(C)(C(N)=O)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.45
SLC22A2 O15244 1/20 0.45
SLC22A1 O15245 1/20 0.45
PGR P06401 1/20 0.45
THRB P10828 1/20 0.45
ADRB3 P13945 1/20 0.45
OPRK1 P41145 1/20 0.45
PMP22 Q01453 1/20 0.45
KCNH2 Q12809 1/20 0.45
PDE3A Q14432 1/20 0.45
SLC47A1 Q96FL8 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.40
TP53 P04637 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
SCHEMBL25500507 0.85 L3MBTL1 (0.46) BLMSLC22A2SLC22A1PGRTHRB
SCHEMBL4162402 0.80 BLM (0.45) BLMSLC22A2SLC22A1PGRTHRB
SCHEMBL25512278 0.80 LMNA (0.44) BLMTSHRSMN1; SMN2L3MBTL1NPC1
SCHEMBL8283520 0.79 MAPT (0.52) BLMSLC22A2SLC22A1PGRTHRB
SCHEMBL3954412 0.79 BLM (0.44) BLMSLC22A2SLC22A1PGRTHRB
SCHEMBL14813730 0.78 MEN1 (0.45) BLMSLC22A2SLC22A1PGRTHRB
SCHEMBL28996600 0.77 SMN1; SMN2 (0.48) BLMSLC22A2SLC22A1PGRTHRB
SCHEMBL30579574 0.77 SLC22A2 (0.39) BLMSLC22A2SLC22A1PGRTHRB
SCHEMBL16297391 0.77 SLC22A2 (0.39) BLMSLC22A2SLC22A1PGRTHRB
SCHEMBL4036415 0.76 BLM (0.42) BLMSLC22A2SLC22A1PGRTHRB

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
WO-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO claimed
US-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELI LILLY AND COMPANY (US) 2020-07-07 US disclosed
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 US disclosed
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2018-09-20 US disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
US-8981111-B2 Fungicide hydroximoyl-heterocycles derivatives BAYER CROPSCIENCE AG (DE) 2015-03-17 US disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 US disclosed
WO-2011076744-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2011-06-30 WO disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 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 (7 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-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELANE, CASP3, MMP8 BLM 458/4885SLC22A2 3086/4885SLC22A1 2518/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 BLM 1085/4885SLC22A2 688/4885SLC22A1 853/4885
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 BLM 458/4885SLC22A2 3086/4885SLC22A1 2518/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 BLM 1085/4885SLC22A2 688/4885SLC22A1 853/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 BLM 854/4885SLC22A2 320/4885SLC22A1 381/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 BLM 458/4885SLC22A2 3086/4885SLC22A1 2518/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 BLM 1085/4885SLC22A2 688/4885SLC22A1 853/4885

“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.