SCHEMBL2902236

SCHEMBL2902236

BrCc1ccccc1-c1ccccc1.[MgH2]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.58
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 1/20 0.46
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
HTR7 P34969 1/20 0.42
FOLH1 Q04609 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
BCL2L1 Q07817 1/20 0.41
CYP2A6 P11509 1/20 0.41
KCNA5 P22460 1/20 0.41
KCNH2 Q12809 1/20 0.41
TRPA1 O75762 1/20 0.40
TSHR P16473 1/20 0.40
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38

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
SCHEMBL31163822 0.98 DPP4 (0.60) DPP4KMT2AALDH1A1MAPK1PDCD1
SCHEMBL471 0.98 DPP4 (0.60) DPP4KMT2AALDH1A1MAPK1PDCD1
SCHEMBL31753971 0.88 DPP4 (0.50) DPP4KMT2AALDH1A1MAPK1PDCD1
SCHEMBL28961512 0.88 DPP4 (0.48) DPP4KMT2AALDH1A1MAPK1PDCD1
SCHEMBL376955 0.86 DPP4 (0.48) DPP4KMT2AALDH1A1MAPK1PDCD1
SCHEMBL4588820 0.84 DPP4 (0.56) DPP4KMT2AALDH1A1MAPK1PDCD1
SCHEMBL1309773 0.82 ALDH1A1 (0.48) DPP4KMT2AALDH1A1MAPK1PDCD1
SCHEMBL1309790 0.82 ALDH1A1 (0.43) DPP4KMT2AALDH1A1MAPK1PDCD1
SCHEMBL31454260 0.81 DPP4 (0.41) DPP4KMT2AALDH1A1MAPK1PDCD1
SCHEMBL1038470 0.80 HTR2C (0.44) DPP4KMT2AHTR7KCNA5KCNH2

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
CN-1878762-B Morpholine derivatives as norepinephrine reuptake inhibitors LILLY CO ELI 2010-10-27 CN disclosed
EP-2223916-A1 Morpholine derivatives as norepinephrine reuptake inhibitors Eli Lilly and Company (US) 2010-09-01 EP disclosed
EP-1682523-B1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2010-08-18 EP disclosed
US-7423037-B2 e.g. 1-[1,1'-biphenyl]-2-yl-2-morpholin-2-ylpropan-2-ol; antidepressant, anxiolytic agent, cognition activator ELI LILLY AND COMPANY (US) 2008-09-09 US disclosed
EP-1729754-B1 SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES LILLY CO ELI (US) 2008-07-02 EP disclosed
US-20070083046-A1 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2007-04-12 US disclosed
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition ELI LILY AND COMPANY (US) 2007-01-18 US disclosed
CN-1889940-A Treatment of personality changes due to hot flashes, impulse control disorders and systemic medical conditions LILLY CO ELI (US) 2007-01-03 CN disclosed
EP-1729754-A2 SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES, IMPULSE CONTROL DISORDERS AND PERSONALITY CHANGE DUE TO A GENERAL MEDICAL CONDITION ELI LILLY AND COMPANY (US) 2006-12-13 EP disclosed
CN-1878762-A Morpholine derivatives as norepinephrine reuptake inhibitors LILLY CO ELI (US) 2006-12-13 CN disclosed
EP-1682523-A1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2006-07-26 EP disclosed
WO-2005060949-A2 SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES, IMPULSE CONTROL DISORDERS AND PERSONALITY CHANGE DUE TO A GENERAL MEDICAL CONDITION ELI LILLY AND COMPANY (US) 2005-07-07 WO disclosed
WO-2005047272-A1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-05-26 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 (2 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-20070083046-A1 Morpholine derivatives as norepinephrine reuptake inhibitors SLC6A2, SLC18A2, SLC6A3 DPP4 3574/4885KMT2A 3216/4885ALDH1A1 857/4885
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition SLC6A2, SLC6A4, HTR5A DPP4 2063/4885KMT2A 2399/4885ALDH1A1 1938/4885

“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.