SCHEMBL4082292

SCHEMBL4082292

Br[Zn]Cc1ccccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.56
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
HTR7 P34969 3/20 0.41
FOLH1 Q04609 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KCNA5 P22460 1/20 0.40
KCNH2 Q12809 1/20 0.40
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
BCL2L1 Q07817 1/20 0.39
CYP2A6 P11509 1/20 0.39
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37

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
SCHEMBL471 0.76 DPP4 (0.60) DPP4KMT2AALDH1A1MAPK1PDCD1
SCHEMBL31163822 0.76 DPP4 (0.60) DPP4KMT2AALDH1A1MAPK1PDCD1
SCHEMBL31387875 0.75 DPP4 (0.65) DPP4KMT2AALDH1A1MAPK1PDCD1
SCHEMBL11333152 0.75 DPP4 (0.65) DPP4KMT2AALDH1A1MAPK1PDCD1
SCHEMBL2841431 0.75 DPP4 (0.65) DPP4KMT2AALDH1A1MAPK1PDCD1
SCHEMBL2902236 0.74 DPP4 (0.58) DPP4KMT2AALDH1A1MAPK1PDCD1
SCHEMBL30826353 0.73 PDCD1 (0.65) DPP4KMT2AALDH1A1MAPK1PDCD1
SCHEMBL117091 0.73 PDCD1 (0.65) DPP4KMT2AALDH1A1MAPK1PDCD1
SCHEMBL4588820 0.73 DPP4 (0.56) DPP4KMT2AALDH1A1MAPK1PDCD1
SCHEMBL2902238 0.73 DPP4 (0.56) DPP4KMT2AALDH1A1MAPK1PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595315-B2 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
EP-1716126-B1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2009-02-25 EP disclosed
US-20070060585-A1 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY 2007-03-15 US disclosed
EP-1716126-A1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-02 EP disclosed
WO-2005066144-A1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-07-21 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 (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-20070060585-A1 Morpholine derivatives as norepinephrine reuptake inhibitors SLC6A2, SLC18A2, SLC6A3 DPP4 3664/4885KMT2A 3263/4885ALDH1A1 1246/4885

“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.